id	sid	tid	token	lemma	pos
iajs-774	1	1	ibn	ibn	PROPN
iajs-774	1	2	alhaitham	alhaitham	NOUN
iajs-774	1	3	j.	j.	PROPN
iajs-774	1	4	for	for	ADP
iajs-774	1	5	pure	pure	ADJ
iajs-774	1	6	&	&	CCONJ
iajs-774	1	7	appl	appl	PROPN
iajs-774	1	8	.	.	PUNCT
iajs-774	2	1	sci	sci	PROPN
iajs-774	2	2	.	.	PUNCT
iajs-774	2	3	vol.24	vol.24	NOUN
iajs-774	2	4	(	(	PUNCT
iajs-774	2	5	2	2	NUM
iajs-774	2	6	)	)	PUNCT
iajs-774	2	7	2011	2011	NUM
iajs-774	2	8	vibrational	vibrational	NOUN
iajs-774	2	9	zero	zero	NUM
iajs-774	2	10	-	-	PUNCT
iajs-774	2	11	point	point	NOUN
iajs-774	2	12	energies	energy	NOUN
iajs-774	2	13	of	of	ADP
iajs-774	2	14	iodo	iodo	NOUN
iajs-774	2	15	compounds	compound	NOUN
iajs-774	2	16	n.	n.	PROPN
iajs-774	2	17	saeed	saeed	PROPN
iajs-774	2	18	department	department	PROPN
iajs-774	2	19	of	of	ADP
iajs-774	2	20	chemistry	chemistry	NOUN
iajs-774	2	21	,	,	PUNCT
iajs-774	2	22	college	college	NOUN
iajs-774	2	23	of	of	ADP
iajs-774	2	24	education	education	PROPN
iajs-774	2	25	ibn	ibn	PROPN
iajs-774	2	26	al	al	PROPN
iajs-774	2	27	-	-	PUNCT
iajs-774	2	28	haitham	haitham	PROPN
iajs-774	2	29	,	,	PUNCT
iajs-774	2	30	university	university	PROPN
iajs-774	2	31	of	of	ADP
iajs-774	2	32	baghdad	baghdad	PROPN
iajs-774	2	33	received	receive	VERB
iajs-774	2	34	in	in	ADP
iajs-774	2	35	:	:	PUNCT
iajs-774	2	36	11	11	NUM
iajs-774	2	37	april	april	PROPN
iajs-774	2	38	2011	2011	NUM
iajs-774	2	39	accepted	accept	VERB
iajs-774	2	40	in	in	ADP
iajs-774	2	41	:	:	PUNCT
iajs-774	2	42	30	30	NUM
iajs-774	2	43	may	may	PROPN
iajs-774	2	44	2011	2011	NUM
iajs-774	2	45	abstract	abstract	ADV
iajs-774	2	46	in	in	ADP
iajs-774	2	47	this	this	DET
iajs-774	2	48	study	study	NOUN
iajs-774	2	49	,	,	PUNCT
iajs-774	2	50	the	the	DET
iajs-774	2	51	contribution	contribution	NOUN
iajs-774	2	52	of	of	ADP
iajs-774	2	53	the	the	DET
iajs-774	2	54	bond	bond	NOUN
iajs-774	2	55	c	c	NOUN
iajs-774	2	56	–	–	PUNCT
iajs-774	2	57	i	i	PRON
iajs-774	2	58	has	have	AUX
iajs-774	2	59	been	be	AUX
iajs-774	2	60	derived	derive	VERB
iajs-774	2	61	and	and	CCONJ
iajs-774	2	62	incorporated	incorporate	VERB
iajs-774	2	63	in	in	ADP
iajs-774	2	64	empirical	empirical	ADJ
iajs-774	2	65	formula	formula	NOUN
iajs-774	2	66	to	to	PART
iajs-774	2	67	calculate	calculate	VERB
iajs-774	2	68	zero	zero	NUM
iajs-774	2	69	-	-	PUNCT
iajs-774	2	70	point	point	NOUN
iajs-774	2	71	energies	energy	NOUN
iajs-774	2	72	(	(	PUNCT
iajs-774	2	73	zpe	zpe	PROPN
iajs-774	2	74	)	)	PUNCT
iajs-774	2	75	of	of	ADP
iajs-774	2	76	iodo	iodo	NOUN
iajs-774	2	77	compounds	compound	NOUN
iajs-774	2	78	.	.	PUNCT
iajs-774	3	1	the	the	DET
iajs-774	3	2	calculated	calculated	ADJ
iajs-774	3	3	zpe	zpe	NOUN
iajs-774	3	4	for	for	ADP
iajs-774	3	5	38	38	NUM
iajs-774	3	6	molecules	molecule	NOUN
iajs-774	3	7	containing	contain	VERB
iajs-774	3	8	this	this	DET
iajs-774	3	9	bond	bond	NOUN
iajs-774	3	10	correlate	correlate	VERB
iajs-774	3	11	well	well	ADV
iajs-774	3	12	with	with	ADP
iajs-774	3	13	experimental	experimental	ADJ
iajs-774	3	14	values	value	NOUN
iajs-774	3	15	.	.	PUNCT
iajs-774	4	1	the	the	DET
iajs-774	4	2	comparison	comparison	NOUN
iajs-774	4	3	of	of	ADP
iajs-774	4	4	these	these	DET
iajs-774	4	5	results	result	NOUN
iajs-774	4	6	with	with	ADP
iajs-774	4	7	semiempirical	semiempirical	ADJ
iajs-774	4	8	(	(	PUNCT
iajs-774	4	9	am1	am1	PROPN
iajs-774	4	10	)	)	PUNCT
iajs-774	4	11	zpe	zpe	PROPN
iajs-774	4	12	appears	appear	VERB
iajs-774	4	13	very	very	ADV
iajs-774	4	14	satisfactory	satisfactory	ADJ
iajs-774	4	15	.	.	PUNCT
iajs-774	5	1	keywords	keyword	NOUN
iajs-774	5	2	:	:	PUNCT
iajs-774	5	3	zero	zero	NUM
iajs-774	5	4	-	-	PUNCT
iajs-774	5	5	point	point	NOUN
iajs-774	5	6	energy	energy	NOUN
iajs-774	5	7	;	;	PUNCT
iajs-774	5	8	empirical	empirical	ADJ
iajs-774	5	9	zpe	zpe	NOUN
iajs-774	5	10	;	;	PUNCT
iajs-774	5	11	iodo	iodo	ADP
iajs-774	5	12	compounds	compound	NOUN
iajs-774	5	13	.	.	PUNCT
iajs-774	6	1	introduction	introduction	NOUN
iajs-774	6	2	the	the	DET
iajs-774	6	3	zero	zero	NUM
iajs-774	6	4	point	point	NOUN
iajs-774	6	5	energies	energy	NOUN
iajs-774	6	6	(	(	PUNCT
iajs-774	6	7	zpe	zpe	PROPN
iajs-774	6	8	)	)	PUNCT
iajs-774	6	9	of	of	ADP
iajs-774	6	10	polyatomic	polyatomic	ADJ
iajs-774	6	11	molecules	molecule	NOUN
iajs-774	6	12	can	can	AUX
iajs-774	6	13	be	be	AUX
iajs-774	6	14	experimentally	experimentally	ADV
iajs-774	6	15	determined	determine	VERB
iajs-774	6	16	via	via	ADP
iajs-774	6	17	equation	equation	NOUN
iajs-774	6	18	(	(	PUNCT
iajs-774	6	19	1	1	NUM
iajs-774	6	20	):	):	PUNCT
iajs-774	6	21	zpe	zpe	NOUN
iajs-774	6	22	=	=	SYM
iajs-774	6	23	1/2	1/2	NUM
iajs-774	6	24	hvi	hvi	NOUN
iajs-774	6	25	(	(	PUNCT
iajs-774	6	26	1	1	NUM
iajs-774	6	27	)	)	PUNCT
iajs-774	6	28	where	where	SCONJ
iajs-774	6	29	h	h	PROPN
iajs-774	6	30	planck	planck	NOUN
iajs-774	6	31	's	's	PART
iajs-774	6	32	constant	constant	ADJ
iajs-774	6	33	,	,	PUNCT
iajs-774	6	34	vi	vi	PROPN
iajs-774	6	35	is	be	AUX
iajs-774	6	36	the	the	DET
iajs-774	6	37	frequency	frequency	NOUN
iajs-774	6	38	of	of	ADP
iajs-774	6	39	fundamental	fundamental	ADJ
iajs-774	6	40	vibration	vibration	NOUN
iajs-774	6	41	i	i	PRON
iajs-774	6	42	,	,	PUNCT
iajs-774	6	43	and	and	CCONJ
iajs-774	6	44	k	k	X
iajs-774	6	45	the	the	DET
iajs-774	6	46	normal	normal	ADJ
iajs-774	6	47	modes	mode	NOUN
iajs-774	6	48	of	of	ADP
iajs-774	6	49	vibrations	vibration	NOUN
iajs-774	6	50	.	.	PUNCT
iajs-774	7	1	normal	normal	ADJ
iajs-774	7	2	vibrations	vibration	NOUN
iajs-774	7	3	are	be	AUX
iajs-774	7	4	usually	usually	ADV
iajs-774	7	5	determined	determine	VERB
iajs-774	7	6	by	by	ADP
iajs-774	7	7	ir	ir	PROPN
iajs-774	7	8	and	and	CCONJ
iajs-774	7	9	raman	raman	NOUN
iajs-774	7	10	spectroscopy	spectroscopy	NOUN
iajs-774	7	11	.	.	PUNCT
iajs-774	8	1	this	this	DET
iajs-774	8	2	method	method	NOUN
iajs-774	8	3	has	have	VERB
iajs-774	8	4	some	some	DET
iajs-774	8	5	difficulties	difficulty	NOUN
iajs-774	8	6	,	,	PUNCT
iajs-774	8	7	especially	especially	ADV
iajs-774	8	8	,	,	PUNCT
iajs-774	8	9	for	for	ADP
iajs-774	8	10	large	large	ADJ
iajs-774	8	11	molecules	molecule	NOUN
iajs-774	8	12	because	because	SCONJ
iajs-774	8	13	of	of	ADP
iajs-774	8	14	the	the	DET
iajs-774	8	15	existence	existence	NOUN
iajs-774	8	16	of	of	ADP
iajs-774	8	17	overtones	overtone	NOUN
iajs-774	8	18	and	and	CCONJ
iajs-774	8	19	combination	combination	NOUN
iajs-774	8	20	frequencies	frequency	NOUN
iajs-774	8	21	in	in	ADP
iajs-774	8	22	their	their	PRON
iajs-774	8	23	molecular	molecular	ADJ
iajs-774	8	24	spectra	spectra	NOUN
iajs-774	8	25	.	.	PUNCT
iajs-774	9	1	ab	ab	PROPN
iajs-774	9	2	initio	initio	PROPN
iajs-774	9	3	calculations	calculation	NOUN
iajs-774	9	4	are	be	AUX
iajs-774	9	5	also	also	ADV
iajs-774	9	6	used	use	VERB
iajs-774	9	7	in	in	ADP
iajs-774	9	8	determining	determine	VERB
iajs-774	9	9	the	the	DET
iajs-774	9	10	frequencies	frequency	NOUN
iajs-774	9	11	of	of	ADP
iajs-774	9	12	normal	normal	ADJ
iajs-774	9	13	modes	mode	NOUN
iajs-774	9	14	of	of	ADP
iajs-774	9	15	compounds	compound	NOUN
iajs-774	9	16	.	.	PUNCT
iajs-774	10	1	this	this	DET
iajs-774	10	2	method	method	NOUN
iajs-774	10	3	have	have	VERB
iajs-774	10	4	several	several	ADJ
iajs-774	10	5	difficulties	difficulty	NOUN
iajs-774	10	6	.	.	PUNCT
iajs-774	11	1	firstly	firstly	ADV
iajs-774	11	2	,	,	PUNCT
iajs-774	11	3	it	it	PRON
iajs-774	11	4	overestimates	overestimate	VERB
iajs-774	11	5	the	the	DET
iajs-774	11	6	frequencies	frequency	NOUN
iajs-774	11	7	by	by	ADP
iajs-774	11	8	about	about	ADV
iajs-774	11	9	10	10	NUM
iajs-774	11	10	%	%	NOUN
iajs-774	11	11	[	[	X
iajs-774	11	12	1	1	NUM
iajs-774	11	13	]	]	PUNCT
iajs-774	11	14	.	.	PUNCT
iajs-774	12	1	secondly	secondly	ADV
iajs-774	12	2	,	,	PUNCT
iajs-774	12	3	ab	ab	PROPN
iajs-774	12	4	initio	initio	PROPN
iajs-774	12	5	calculations	calculation	NOUN
iajs-774	12	6	require	require	VERB
iajs-774	12	7	sophisticated	sophisticated	ADJ
iajs-774	12	8	computers	computer	NOUN
iajs-774	12	9	and	and	CCONJ
iajs-774	12	10	need	need	VERB
iajs-774	12	11	long	long	ADJ
iajs-774	12	12	computing	computing	NOUN
iajs-774	12	13	times	time	NOUN
iajs-774	12	14	especially	especially	ADV
iajs-774	12	15	for	for	ADP
iajs-774	12	16	large	large	ADJ
iajs-774	12	17	molecules	molecule	NOUN
iajs-774	12	18	.	.	PUNCT
iajs-774	13	1	as	as	ADP
iajs-774	13	2	a	a	DET
iajs-774	13	3	consequence	consequence	NOUN
iajs-774	13	4	of	of	ADP
iajs-774	13	5	the	the	DET
iajs-774	13	6	above	above	ADJ
iajs-774	13	7	difficulties	difficulty	NOUN
iajs-774	13	8	,	,	PUNCT
iajs-774	13	9	empirical	empirical	ADJ
iajs-774	13	10	methods	method	NOUN
iajs-774	13	11	had	have	AUX
iajs-774	13	12	been	be	AUX
iajs-774	13	13	developed	develop	VERB
iajs-774	13	14	to	to	PART
iajs-774	13	15	calculate	calculate	VERB
iajs-774	13	16	the	the	DET
iajs-774	13	17	zpe	zpe	NOUN
iajs-774	13	18	’s	’s	X
iajs-774	13	19	of	of	ADP
iajs-774	13	20	organic	organic	ADJ
iajs-774	13	21	compounds	compound	NOUN
iajs-774	13	22	.	.	PUNCT
iajs-774	14	1	flanigen	flanigen	PROPN
iajs-774	14	2	et	et	PROPN
iajs-774	14	3	al	al	PROPN
iajs-774	14	4	,	,	PUNCT
iajs-774	14	5	[	[	X
iajs-774	14	6	2	2	X
iajs-774	14	7	]	]	PUNCT
iajs-774	14	8	derived	derive	VERB
iajs-774	14	9	a	a	DET
iajs-774	14	10	simple	simple	ADJ
iajs-774	14	11	empirical	empirical	ADJ
iajs-774	14	12	formula	formula	NOUN
iajs-774	14	13	for	for	ADP
iajs-774	14	14	the	the	DET
iajs-774	14	15	calculation	calculation	NOUN
iajs-774	14	16	of	of	ADP
iajs-774	14	17	the	the	DET
iajs-774	14	18	zpe	zpe	NOUN
iajs-774	14	19	of	of	ADP
iajs-774	14	20	a	a	DET
iajs-774	14	21	hydrocarbon	hydrocarbon	NOUN
iajs-774	14	22	,	,	PUNCT
iajs-774	14	23	equation	equation	NOUN
iajs-774	14	24	(	(	PUNCT
iajs-774	14	25	2	2	NUM
iajs-774	14	26	):	):	PUNCT
iajs-774	14	27	zpe	zpe	NOUN
iajs-774	14	28	=	=	SYM
iajs-774	14	29	2n	2n	NUM
iajs-774	15	1	+	+	CCONJ
iajs-774	15	2	7	7	NUM
iajs-774	15	3	m	m	NOUN
iajs-774	15	4	(	(	PUNCT
iajs-774	15	5	kcal	kcal	PROPN
iajs-774	15	6	/	/	SYM
iajs-774	15	7	mol	mol	NOUN
iajs-774	15	8	)	)	PUNCT
iajs-774	15	9	(	(	PUNCT
iajs-774	15	10	2	2	X
iajs-774	15	11	)	)	PUNCT
iajs-774	15	12	where	where	SCONJ
iajs-774	15	13	n	n	X
iajs-774	15	14	,	,	PUNCT
iajs-774	15	15	m	m	VERB
iajs-774	15	16	are	be	AUX
iajs-774	15	17	the	the	DET
iajs-774	15	18	number	number	NOUN
iajs-774	15	19	of	of	ADP
iajs-774	15	20	carbon	carbon	NOUN
iajs-774	15	21	and	and	CCONJ
iajs-774	15	22	hydrogen	hydrogen	NOUN
iajs-774	15	23	atoms	atom	NOUN
iajs-774	15	24	,	,	PUNCT
iajs-774	15	25	respectively	respectively	ADV
iajs-774	15	26	.	.	PUNCT
iajs-774	16	1	later	later	ADV
iajs-774	16	2	,	,	PUNCT
iajs-774	16	3	schulman	schulman	PROPN
iajs-774	16	4	and	and	CCONJ
iajs-774	16	5	disch	disch	PROPN
iajs-774	17	1	[	[	X
iajs-774	17	2	3	3	NUM
iajs-774	17	3	]	]	PUNCT
iajs-774	17	4	have	have	AUX
iajs-774	17	5	developed	develop	VERB
iajs-774	17	6	another	another	DET
iajs-774	17	7	empirical	empirical	ADJ
iajs-774	17	8	formula	formula	NOUN
iajs-774	17	9	for	for	ADP
iajs-774	17	10	the	the	DET
iajs-774	17	11	calculation	calculation	NOUN
iajs-774	17	12	to	to	ADP
iajs-774	17	13	the	the	DET
iajs-774	17	14	zpe	zpe	NOUN
iajs-774	17	15	,	,	PUNCT
iajs-774	17	16	s	s	PROPN
iajs-774	17	17	of	of	ADP
iajs-774	17	18	hydrocarbons	hydrocarbon	NOUN
iajs-774	17	19	,	,	PUNCT
iajs-774	17	20	equation	equation	NOUN
iajs-774	17	21	(	(	PUNCT
iajs-774	17	22	3	3	NUM
iajs-774	17	23	)	)	PUNCT
iajs-774	17	24	:	:	PUNCT
iajs-774	17	25	ibn	ibn	PROPN
iajs-774	17	26	alhaitham	alhaitham	NOUN
iajs-774	17	27	j.	j.	PROPN
iajs-774	17	28	for	for	ADP
iajs-774	17	29	pure	pure	ADJ
iajs-774	17	30	&	&	CCONJ
iajs-774	17	31	appl	appl	PROPN
iajs-774	17	32	.	.	PUNCT
iajs-774	18	1	sci	sci	PROPN
iajs-774	18	2	.	.	PUNCT
iajs-774	18	3	vol.24	vol.24	NOUN
iajs-774	18	4	(	(	PUNCT
iajs-774	18	5	2	2	NUM
iajs-774	18	6	)	)	PUNCT
iajs-774	18	7	2011	2011	NUM
iajs-774	18	8	zpe	zpe	NOUN
iajs-774	18	9	(	(	PUNCT
iajs-774	18	10	n	n	X
iajs-774	18	11	,	,	PUNCT
iajs-774	18	12	m	m	NOUN
iajs-774	18	13	)	)	PUNCT
iajs-774	18	14	=	=	PUNCT
iajs-774	19	1	3.88n	3.88n	NUM
iajs-774	19	2	+	+	NOUN
iajs-774	19	3	7.12	7.12	NUM
iajs-774	19	4	m	m	NOUN
iajs-774	19	5	–	–	PUNCT
iajs-774	19	6	6.19	6.19	NUM
iajs-774	19	7	(	(	PUNCT
iajs-774	19	8	kcal	kcal	NOUN
iajs-774	19	9	/	/	SYM
iajs-774	19	10	mol	mol	NOUN
iajs-774	19	11	)	)	PUNCT
iajs-774	19	12	(	(	PUNCT
iajs-774	19	13	3	3	X
iajs-774	19	14	)	)	PUNCT
iajs-774	19	15	where	where	SCONJ
iajs-774	19	16	n	n	NUM
iajs-774	19	17	and	and	CCONJ
iajs-774	19	18	m	m	PROPN
iajs-774	19	19	are	be	AUX
iajs-774	19	20	the	the	DET
iajs-774	19	21	number	number	NOUN
iajs-774	19	22	of	of	ADP
iajs-774	19	23	carbon	carbon	NOUN
iajs-774	19	24	and	and	CCONJ
iajs-774	19	25	hydrogen	hydrogen	NOUN
iajs-774	19	26	atoms	atom	NOUN
iajs-774	19	27	,	,	PUNCT
iajs-774	19	28	respectively	respectively	ADV
iajs-774	19	29	,	,	PUNCT
iajs-774	19	30	3.88	3.88	NUM
iajs-774	19	31	is	be	AUX
iajs-774	19	32	the	the	DET
iajs-774	19	33	increment	increment	NOUN
iajs-774	19	34	of	of	ADP
iajs-774	19	35	carbon	carbon	NOUN
iajs-774	19	36	atom	atom	NOUN
iajs-774	19	37	,	,	PUNCT
iajs-774	19	38	7.12	7.12	NUM
iajs-774	19	39	is	be	AUX
iajs-774	19	40	the	the	DET
iajs-774	19	41	increment	increment	NOUN
iajs-774	19	42	of	of	ADP
iajs-774	19	43	hydrogen	hydrogen	NOUN
iajs-774	19	44	atom	atom	NOUN
iajs-774	19	45	and	and	CCONJ
iajs-774	19	46	6.19	6.19	NUM
iajs-774	19	47	is	be	AUX
iajs-774	19	48	a	a	DET
iajs-774	19	49	constant	constant	ADJ
iajs-774	19	50	.	.	PUNCT
iajs-774	20	1	ibrahim	ibrahim	PROPN
iajs-774	20	2	,	,	PUNCT
iajs-774	20	3	fatafiata	fatafiata	ADJ
iajs-774	20	4	and	and	CCONJ
iajs-774	20	5	abdulhussain	abdulhussain	ADJ
iajs-774	20	6	[	[	X
iajs-774	20	7	4	4	NUM
iajs-774	20	8	-	-	SYM
iajs-774	20	9	6	6	NUM
iajs-774	20	10	]	]	PUNCT
iajs-774	20	11	used	use	VERB
iajs-774	20	12	schuman	schuman	PROPN
iajs-774	20	13	and	and	CCONJ
iajs-774	20	14	disch	disch	PROPN
iajs-774	20	15	formula	formula	NOUN
iajs-774	20	16	to	to	PART
iajs-774	20	17	calculate	calculate	VERB
iajs-774	20	18	the	the	DET
iajs-774	20	19	zpe	zpe	NOUN
iajs-774	20	20	,	,	PUNCT
iajs-774	20	21	s	s	X
iajs-774	20	22	of	of	ADP
iajs-774	20	23	other	other	ADJ
iajs-774	20	24	organic	organic	ADJ
iajs-774	20	25	compounds	compound	NOUN
iajs-774	20	26	by	by	ADP
iajs-774	20	27	deriving	derive	VERB
iajs-774	20	28	increment	increment	NOUN
iajs-774	20	29	for	for	ADP
iajs-774	20	30	n	n	CCONJ
iajs-774	20	31	,	,	PUNCT
iajs-774	20	32	o	o	NOUN
iajs-774	20	33	,	,	PUNCT
iajs-774	20	34	cl	cl	NOUN
iajs-774	20	35	,	,	PUNCT
iajs-774	20	36	f	f	PROPN
iajs-774	20	37	,	,	PUNCT
iajs-774	20	38	s	s	PROPN
iajs-774	20	39	,	,	PUNCT
iajs-774	20	40	br	br	PROPN
iajs-774	21	1	and	and	CCONJ
iajs-774	21	2	i	i	PRON
iajs-774	21	3	atoms	atom	NOUN
iajs-774	21	4	.	.	PUNCT
iajs-774	22	1	rahal	rahal	VERB
iajs-774	22	2	et	et	PROPN
iajs-774	22	3	al	al	PROPN
iajs-774	22	4	,	,	PUNCT
iajs-774	22	5	[	[	X
iajs-774	22	6	7	7	NUM
iajs-774	22	7	-	-	SYM
iajs-774	22	8	8	8	NUM
iajs-774	22	9	]	]	PUNCT
iajs-774	22	10	established	establish	VERB
iajs-774	22	11	an	an	DET
iajs-774	22	12	empirical	empirical	ADJ
iajs-774	22	13	relationship	relationship	NOUN
iajs-774	22	14	making	make	VERB
iajs-774	22	15	it	it	PRON
iajs-774	22	16	possible	possible	ADJ
iajs-774	22	17	to	to	PART
iajs-774	22	18	calculate	calculate	VERB
iajs-774	22	19	the	the	DET
iajs-774	22	20	zpe	zpe	NOUN
iajs-774	22	21	of	of	ADP
iajs-774	22	22	organic	organic	ADJ
iajs-774	22	23	compounds	compound	NOUN
iajs-774	22	24	.	.	PUNCT
iajs-774	23	1	this	this	DET
iajs-774	23	2	relationship	relationship	NOUN
iajs-774	23	3	was	be	AUX
iajs-774	23	4	determined	determine	VERB
iajs-774	23	5	by	by	ADP
iajs-774	23	6	relating	relate	VERB
iajs-774	23	7	zpe	zpe	NOUN
iajs-774	23	8	to	to	ADP
iajs-774	23	9	the	the	DET
iajs-774	23	10	nature	nature	NOUN
iajs-774	23	11	and	and	CCONJ
iajs-774	23	12	type	type	NOUN
iajs-774	23	13	of	of	ADP
iajs-774	23	14	bonds	bond	NOUN
iajs-774	23	15	forming	form	VERB
iajs-774	23	16	the	the	DET
iajs-774	23	17	molecule	molecule	NOUN
iajs-774	23	18	.	.	PUNCT
iajs-774	24	1	the	the	DET
iajs-774	24	2	empirical	empirical	ADJ
iajs-774	24	3	formula	formula	NOUN
iajs-774	24	4	found	find	VERB
iajs-774	24	5	is	be	AUX
iajs-774	24	6	written	write	VERB
iajs-774	24	7	as	as	SCONJ
iajs-774	24	8	follows	follow	VERB
iajs-774	24	9	:	:	PUNCT
iajs-774	24	10	zpe	zpe	PROPN
iajs-774	24	11	(	(	PUNCT
iajs-774	24	12	kcal	kcal	PROPN
iajs-774	24	13	/	/	SYM
iajs-774	24	14	mol	mol	NOUN
iajs-774	24	15	)	)	PUNCT
iajs-774	24	16	(	(	PUNCT
iajs-774	24	17	4	4	NUM
iajs-774	24	18	)	)	PUNCT
iajs-774	24	19	with	with	ADP
iajs-774	24	20	p	p	NOUN
iajs-774	24	21	the	the	DET
iajs-774	24	22	number	number	NOUN
iajs-774	24	23	of	of	ADP
iajs-774	24	24	bonds	bond	NOUN
iajs-774	24	25	in	in	ADP
iajs-774	24	26	the	the	DET
iajs-774	24	27	molecule	molecule	NOUN
iajs-774	24	28	,	,	PUNCT
iajs-774	24	29	n	n	CCONJ
iajs-774	24	30	the	the	DET
iajs-774	24	31	number	number	NOUN
iajs-774	24	32	of	of	ADP
iajs-774	24	33	bonds	bond	NOUN
iajs-774	24	34	of	of	ADP
iajs-774	24	35	type	type	NOUN
iajs-774	24	36	i	i	PROPN
iajs-774	24	37	and	and	CCONJ
iajs-774	24	38	bc	bc	PROPN
iajs-774	24	39	,	,	PUNCT
iajs-774	24	40	the	the	DET
iajs-774	24	41	contribution	contribution	NOUN
iajs-774	24	42	of	of	ADP
iajs-774	24	43	the	the	DET
iajs-774	24	44	bond	bond	NOUN
iajs-774	24	45	i	i	PRON
iajs-774	24	46	to	to	ADP
iajs-774	24	47	the	the	DET
iajs-774	24	48	zpe	zpe	PROPN
iajs-774	24	49	.	.	PUNCT
iajs-774	25	1	this	this	DET
iajs-774	25	2	equation	equation	NOUN
iajs-774	25	3	makes	make	VERB
iajs-774	25	4	it	it	PRON
iajs-774	25	5	possible	possible	ADJ
iajs-774	25	6	to	to	PART
iajs-774	25	7	calculate	calculate	VERB
iajs-774	25	8	the	the	DET
iajs-774	25	9	zpe	zpe	NOUN
iajs-774	25	10	of	of	ADP
iajs-774	25	11	compounds	compound	NOUN
iajs-774	25	12	containing	contain	VERB
iajs-774	25	13	the	the	DET
iajs-774	25	14	bonds	bond	NOUN
iajs-774	25	15	c	c	NOUN
iajs-774	25	16	-	-	PUNCT
iajs-774	25	17	h	h	NOUN
iajs-774	25	18	,	,	PUNCT
iajs-774	25	19	n	n	CCONJ
iajs-774	25	20	-	-	PUNCT
iajs-774	25	21	h	h	NOUN
iajs-774	25	22	,	,	PUNCT
iajs-774	25	23	o	o	NOUN
iajs-774	25	24	-	-	NOUN
iajs-774	25	25	h	h	ADJ
iajs-774	25	26	,	,	PUNCT
iajs-774	25	27	s	s	NOUN
iajs-774	25	28	-	-	NOUN
iajs-774	25	29	h	h	NOUN
iajs-774	25	30	,	,	PUNCT
iajs-774	25	31	c	c	NOUN
iajs-774	25	32	-	-	PUNCT
iajs-774	25	33	o	o	NOUN
iajs-774	25	34	,	,	PUNCT
iajs-774	25	35	c	c	X
iajs-774	25	36	-	-	SYM
iajs-774	25	37	c	c	NOUN
iajs-774	25	38	,	,	PUNCT
iajs-774	25	39	c	c	NOUN
iajs-774	25	40	-	-	PUNCT
iajs-774	25	41	n	n	CCONJ
iajs-774	25	42	,	,	PUNCT
iajs-774	25	43	c	c	NOUN
iajs-774	25	44	-	-	SYM
iajs-774	25	45	s	s	NOUN
iajs-774	25	46	,	,	PUNCT
iajs-774	25	47	n	n	CCONJ
iajs-774	25	48	-	-	PUNCT
iajs-774	25	49	n	n	CCONJ
iajs-774	25	50	,	,	PUNCT
iajs-774	25	51	c	c	NOUN
iajs-774	25	52	-	-	SYM
iajs-774	25	53	f	f	NOUN
iajs-774	25	54	,	,	PUNCT
iajs-774	25	55	c	c	NOUN
iajs-774	25	56	-	-	PUNCT
iajs-774	25	57	cl	cl	NOUN
iajs-774	25	58	,	,	PUNCT
iajs-774	25	59	c	c	NOUN
iajs-774	25	60	-	-	PUNCT
iajs-774	25	61	br	br	NOUN
iajs-774	25	62	,	,	PUNCT
iajs-774	25	63	c	c	PROPN
iajs-774	25	64	=	=	SYM
iajs-774	25	65	c	c	X
iajs-774	25	66	,	,	PUNCT
iajs-774	25	67	c	c	NOUN
iajs-774	25	68	=	=	SYM
iajs-774	25	69	n	n	X
iajs-774	25	70	,	,	PUNCT
iajs-774	25	71	c	c	PROPN
iajs-774	25	72	=	=	SYM
iajs-774	25	73	o	o	NOUN
iajs-774	25	74	,	,	PUNCT
iajs-774	25	75	c	c	PROPN
iajs-774	25	76	=	=	SYM
iajs-774	25	77	s	s	PROPN
iajs-774	25	78	,	,	PUNCT
iajs-774	25	79	c≡c	c≡c	PROPN
iajs-774	25	80	,	,	PUNCT
iajs-774	25	81	and	and	CCONJ
iajs-774	25	82	c≡n	c≡n	NOUN
iajs-774	25	83	.	.	PUNCT
iajs-774	26	1	it	it	PRON
iajs-774	26	2	has	have	AUX
iajs-774	26	3	been	be	AUX
iajs-774	26	4	applied	apply	VERB
iajs-774	26	5	to	to	ADP
iajs-774	26	6	more	more	ADJ
iajs-774	26	7	than	than	ADP
iajs-774	26	8	80	80	NUM
iajs-774	26	9	chemical	chemical	NOUN
iajs-774	26	10	systems	system	NOUN
iajs-774	26	11	belonging	belong	VERB
iajs-774	26	12	to	to	ADP
iajs-774	26	13	different	different	ADJ
iajs-774	26	14	categories	category	NOUN
iajs-774	26	15	of	of	ADP
iajs-774	26	16	compounds	compound	NOUN
iajs-774	26	17	(	(	PUNCT
iajs-774	26	18	alkanes	alkane	NOUN
iajs-774	26	19	,	,	PUNCT
iajs-774	26	20	alkenes	alkene	NOUN
iajs-774	26	21	,	,	PUNCT
iajs-774	26	22	alkynes	alkyne	NOUN
iajs-774	26	23	,	,	PUNCT
iajs-774	26	24	cycloalkanes	cycloalkane	NOUN
iajs-774	26	25	,	,	PUNCT
iajs-774	26	26	cycloalkenes	cycloalkene	NOUN
iajs-774	26	27	,	,	PUNCT
iajs-774	26	28	ketones	ketone	NOUN
iajs-774	26	29	,	,	PUNCT
iajs-774	26	30	aldehydes	aldehyde	NOUN
iajs-774	26	31	,	,	PUNCT
iajs-774	26	32	acids	acid	NOUN
iajs-774	26	33	,	,	PUNCT
iajs-774	26	34	esters	ester	NOUN
iajs-774	26	35	,	,	PUNCT
iajs-774	26	36	alcohols	alcohol	NOUN
iajs-774	26	37	,	,	PUNCT
iajs-774	26	38	ethers	ether	NOUN
iajs-774	26	39	,	,	PUNCT
iajs-774	26	40	amines	amine	NOUN
iajs-774	26	41	,	,	PUNCT
iajs-774	26	42	amides	amide	NOUN
iajs-774	26	43	,	,	PUNCT
iajs-774	26	44	nitriles	nitrile	NOUN
iajs-774	26	45	,	,	PUNCT
iajs-774	26	46	thio	thio	NOUN
iajs-774	26	47	compounds	compound	NOUN
iajs-774	26	48	,	,	PUNCT
iajs-774	26	49	chloro	chloro	NOUN
iajs-774	26	50	compounds	compound	NOUN
iajs-774	26	51	,	,	PUNCT
iajs-774	26	52	fluoro	fluoro	NOUN
iajs-774	26	53	compounds	compound	NOUN
iajs-774	26	54	,	,	PUNCT
iajs-774	26	55	aromatics	aromatic	NOUN
iajs-774	26	56	,	,	PUNCT
iajs-774	26	57	etc	etc	X
iajs-774	26	58	.	.	X
iajs-774	26	59	)	)	PUNCT
iajs-774	26	60	.	.	PUNCT
iajs-774	27	1	the	the	DET
iajs-774	27	2	correlation	correlation	NOUN
iajs-774	27	3	between	between	ADP
iajs-774	27	4	the	the	DET
iajs-774	27	5	experimental	experimental	ADJ
iajs-774	27	6	and	and	CCONJ
iajs-774	27	7	empirical	empirical	ADJ
iajs-774	27	8	zpe	zpe	NOUN
iajs-774	27	9	values	value	NOUN
iajs-774	27	10	is	be	AUX
iajs-774	27	11	virtually	virtually	ADV
iajs-774	27	12	linear	linear	ADJ
iajs-774	27	13	for	for	ADP
iajs-774	27	14	the	the	DET
iajs-774	27	15	non	non	ADJ
iajs-774	27	16	-	-	ADJ
iajs-774	27	17	aromatic	aromatic	ADJ
iajs-774	27	18	compounds	compound	NOUN
iajs-774	27	19	while	while	SCONJ
iajs-774	27	20	for	for	ADP
iajs-774	27	21	aromatic	aromatic	ADJ
iajs-774	27	22	compounds	compound	NOUN
iajs-774	27	23	,	,	PUNCT
iajs-774	27	24	the	the	DET
iajs-774	27	25	empirical	empirical	ADJ
iajs-774	27	26	values	value	NOUN
iajs-774	27	27	have	have	VERB
iajs-774	27	28	to	to	PART
iajs-774	27	29	be	be	AUX
iajs-774	27	30	adjusted	adjust	VERB
iajs-774	27	31	using	use	VERB
iajs-774	27	32	the	the	DET
iajs-774	27	33	equation	equation	NOUN
iajs-774	27	34	(	(	PUNCT
iajs-774	27	35	5	5	NUM
iajs-774	27	36	):	):	PUNCT
iajs-774	27	37	zpe	zpe	NOUN
iajs-774	27	38	=	=	NUM
iajs-774	27	39	1.08	1.08	NUM
iajs-774	27	40	zpe	zpe	NOUN
iajs-774	27	41	(	(	PUNCT
iajs-774	27	42	empirical	empirical	ADJ
iajs-774	27	43	)	)	PUNCT
iajs-774	27	44	1.07	1.07	NUM
iajs-774	27	45	(	(	PUNCT
iajs-774	27	46	kcal	kcal	NOUN
iajs-774	27	47	/	/	SYM
iajs-774	27	48	mol	mol	NOUN
iajs-774	27	49	)	)	PUNCT
iajs-774	27	50	(	(	PUNCT
iajs-774	27	51	5	5	X
iajs-774	27	52	)	)	PUNCT
iajs-774	27	53	this	this	DET
iajs-774	27	54	correction	correction	NOUN
iajs-774	27	55	is	be	AUX
iajs-774	27	56	due	due	ADJ
iajs-774	27	57	to	to	ADP
iajs-774	27	58	the	the	DET
iajs-774	27	59	fact	fact	NOUN
iajs-774	27	60	that	that	SCONJ
iajs-774	27	61	in	in	ADP
iajs-774	27	62	the	the	DET
iajs-774	27	63	aromatic	aromatic	ADJ
iajs-774	27	64	nucleus	nucleus	NOUN
iajs-774	27	65	the	the	DET
iajs-774	27	66	cc	cc	PROPN
iajs-774	27	67	bonds	bond	NOUN
iajs-774	27	68	are	be	AUX
iajs-774	27	69	identical	identical	ADJ
iajs-774	27	70	by	by	ADP
iajs-774	27	71	resonance	resonance	NOUN
iajs-774	27	72	,	,	PUNCT
iajs-774	27	73	while	while	SCONJ
iajs-774	27	74	the	the	DET
iajs-774	27	75	model	model	NOUN
iajs-774	27	76	supposes	suppose	VERB
iajs-774	27	77	the	the	DET
iajs-774	27	78	presence	presence	NOUN
iajs-774	27	79	of	of	ADP
iajs-774	27	80	three	three	NUM
iajs-774	27	81	c	c	NOUN
iajs-774	27	82	-	-	PUNCT
iajs-774	27	83	c	c	NOUN
iajs-774	27	84	bonds	bond	NOUN
iajs-774	27	85	and	and	CCONJ
iajs-774	27	86	three	three	NUM
iajs-774	27	87	c	c	NOUN
iajs-774	27	88	=	=	NOUN
iajs-774	27	89	c	c	NOUN
iajs-774	27	90	bonds	bond	NOUN
iajs-774	27	91	.	.	PUNCT
iajs-774	28	1	in	in	ADP
iajs-774	28	2	this	this	DET
iajs-774	28	3	study	study	NOUN
iajs-774	28	4	,	,	PUNCT
iajs-774	28	5	we	we	PRON
iajs-774	28	6	determine	determine	VERB
iajs-774	28	7	the	the	DET
iajs-774	28	8	contribution	contribution	NOUN
iajs-774	28	9	of	of	ADP
iajs-774	28	10	the	the	DET
iajs-774	28	11	c	c	NOUN
iajs-774	28	12	-	-	PUNCT
iajs-774	28	13	i	i	PRON
iajs-774	28	14	bond	bond	NOUN
iajs-774	28	15	in	in	ADP
iajs-774	28	16	order	order	NOUN
iajs-774	28	17	to	to	PART
iajs-774	28	18	calculate	calculate	VERB
iajs-774	28	19	the	the	DET
iajs-774	28	20	zpe	zpe	NOUN
iajs-774	28	21	of	of	ADP
iajs-774	28	22	iodo	iodo	PROPN
iajs-774	28	23	compounds	compound	NOUN
iajs-774	28	24	.	.	PUNCT
iajs-774	29	1	the	the	DET
iajs-774	29	2	results	result	NOUN
iajs-774	29	3	obtained	obtain	VERB
iajs-774	29	4	have	have	AUX
iajs-774	29	5	been	be	AUX
iajs-774	29	6	compared	compare	VERB
iajs-774	29	7	to	to	ADP
iajs-774	29	8	the	the	DET
iajs-774	29	9	experimental	experimental	ADJ
iajs-774	29	10	values	value	NOUN
iajs-774	29	11	on	on	ADP
iajs-774	29	12	the	the	DET
iajs-774	29	13	one	one	NUM
iajs-774	29	14	hand	hand	NOUN
iajs-774	29	15	,	,	PUNCT
iajs-774	29	16	and	and	CCONJ
iajs-774	29	17	to	to	ADP
iajs-774	29	18	the	the	DET
iajs-774	29	19	values	value	NOUN
iajs-774	29	20	obtained	obtain	VERB
iajs-774	29	21	using	use	VERB
iajs-774	29	22	semi	semi	ADJ
iajs-774	29	23	-	-	ADJ
iajs-774	29	24	empirical	empirical	ADJ
iajs-774	29	25	(	(	PUNCT
iajs-774	29	26	am	be	AUX
iajs-774	29	27	1	1	NUM
iajs-774	29	28	)	)	PUNCT
iajs-774	29	29	calculations	calculation	NOUN
iajs-774	29	30	on	on	ADP
iajs-774	29	31	the	the	DET
iajs-774	29	32	other	other	ADJ
iajs-774	29	33	hand	hand	NOUN
iajs-774	29	34	.	.	PUNCT
iajs-774	30	1	computational	computational	ADJ
iajs-774	30	2	details	detail	NOUN
iajs-774	30	3	the	the	DET
iajs-774	30	4	semiempirical	semiempirical	ADJ
iajs-774	30	5	calculations	calculation	NOUN
iajs-774	30	6	were	be	AUX
iajs-774	30	7	carried	carry	VERB
iajs-774	30	8	out	out	ADP
iajs-774	30	9	using	use	VERB
iajs-774	30	10	the	the	DET
iajs-774	30	11	(	(	PUNCT
iajs-774	30	12	am1	am1	PROPN
iajs-774	30	13	)	)	PUNCT
iajs-774	30	14	method	method	NOUN
iajs-774	31	1	[	[	X
iajs-774	31	2	9	9	NUM
iajs-774	31	3	]	]	PUNCT
iajs-774	31	4	implemented	implement	VERB
iajs-774	31	5	in	in	ADP
iajs-774	31	6	the	the	DET
iajs-774	31	7	gaussian	gaussian	ADJ
iajs-774	31	8	09	09	NUM
iajs-774	31	9	program	program	NOUN
iajs-774	31	10	[	[	X
iajs-774	31	11	10	10	NUM
iajs-774	31	12	]	]	PUNCT
iajs-774	31	13	and	and	CCONJ
iajs-774	31	14	pentium	pentium	NOUN
iajs-774	31	15	iv	iv	NUM
iajs-774	31	16	pc	pc	NOUN
iajs-774	31	17	at	at	ADP
iajs-774	31	18	baghdad	baghdad	PROPN
iajs-774	31	19	university	university	PROPN
iajs-774	31	20	.	.	PUNCT
iajs-774	32	1	zero	zero	NUM
iajs-774	32	2	-	-	PUNCT
iajs-774	32	3	point	point	NOUN
iajs-774	32	4	vibrational	vibrational	ADJ
iajs-774	32	5	energy	energy	NOUN
iajs-774	32	6	was	be	AUX
iajs-774	32	7	calculated	calculate	VERB
iajs-774	32	8	after	after	ADP
iajs-774	32	9	optimising	optimise	VERB
iajs-774	32	10	the	the	DET
iajs-774	32	11	geometry	geometry	NOUN
iajs-774	32	12	on	on	ADP
iajs-774	32	13	the	the	DET
iajs-774	32	14	basis	basis	NOUN
iajs-774	32	15	of	of	ADP
iajs-774	32	16	normal	normal	ADJ
iajs-774	32	17	vibration	vibration	NOUN
iajs-774	32	18	frequencies	frequency	NOUN
iajs-774	32	19	.	.	PUNCT
iajs-774	33	1	results	result	NOUN
iajs-774	33	2	and	and	CCONJ
iajs-774	33	3	discussion	discussion	VERB
iajs-774	33	4	the	the	DET
iajs-774	33	5	derivation	derivation	NOUN
iajs-774	33	6	of	of	ADP
iajs-774	33	7	bond	bond	NOUN
iajs-774	33	8	contribution	contribution	NOUN
iajs-774	33	9	for	for	ADP
iajs-774	33	10	any	any	DET
iajs-774	33	11	type	type	NOUN
iajs-774	33	12	bond	bond	NOUN
iajs-774	33	13	requires	require	VERB
iajs-774	33	14	molecules	molecule	NOUN
iajs-774	33	15	have	have	AUX
iajs-774	33	16	reliable	reliable	ADJ
iajs-774	33	17	zpe	zpe	NOUN
iajs-774	33	18	values	value	NOUN
iajs-774	33	19	.	.	PUNCT
iajs-774	34	1	the	the	DET
iajs-774	34	2	set	set	ADJ
iajs-774	34	3	molecules	molecule	NOUN
iajs-774	34	4	used	use	VERB
iajs-774	34	5	in	in	ADP
iajs-774	34	6	the	the	DET
iajs-774	34	7	derivation	derivation	NOUN
iajs-774	34	8	of	of	ADP
iajs-774	34	9	c	c	NOUN
iajs-774	34	10	-	-	PUNCT
iajs-774	34	11	i	i	PRON
iajs-774	34	12	bond	bond	NOUN
iajs-774	34	13	contribution	contribution	NOUN
iajs-774	34	14	with	with	ADP
iajs-774	34	15	their	their	PRON
iajs-774	34	16	experimental	experimental	ADJ
iajs-774	34	17	zpe	zpe	NOUN
iajs-774	34	18	values	value	NOUN
iajs-774	34	19	are	be	AUX
iajs-774	34	20	recorded	record	VERB
iajs-774	34	21	in	in	ADP
iajs-774	34	22	table	table	NOUN
iajs-774	34	23	(	(	PUNCT
iajs-774	34	24	1	1	NUM
iajs-774	34	25	)	)	PUNCT
iajs-774	34	26	.	.	PUNCT
iajs-774	35	1	the	the	DET
iajs-774	35	2	experimental	experimental	ADJ
iajs-774	35	3	zpe	zpe	PROPN
iajs-774	35	4	values	value	NOUN
iajs-774	35	5	are	be	AUX
iajs-774	35	6	calculated	calculate	VERB
iajs-774	35	7	from	from	ADP
iajs-774	35	8	the	the	DET
iajs-774	35	9	reported	report	VERB
iajs-774	35	10	vibrational	vibrational	ADJ
iajs-774	35	11	spectra	spectra	NOUN
iajs-774	35	12	for	for	ADP
iajs-774	35	13	chosen	choose	VERB
iajs-774	35	14	organic	organic	ADJ
iajs-774	35	15	iodo	iodo	NOUN
iajs-774	35	16	compounds	compound	NOUN
iajs-774	35	17	belong	belong	VERB
iajs-774	35	18	to	to	ADP
iajs-774	35	19	different	different	ADJ
iajs-774	35	20	organic	organic	ADJ
iajs-774	35	21	classes	class	NOUN
iajs-774	35	22	of	of	ADP
iajs-774	35	23	compounds	compound	NOUN
iajs-774	35	24	such	such	ADJ
iajs-774	35	25	as	as	ADP
iajs-774	35	26	acyclic	acyclic	ADJ
iajs-774	35	27	,	,	PUNCT
iajs-774	35	28	cyclic	cyclic	ADJ
iajs-774	35	29	,	,	PUNCT
iajs-774	35	30	saturated	saturated	ADJ
iajs-774	35	31	and	and	CCONJ
iajs-774	35	32	unsaturated	unsaturated	ADJ
iajs-774	35	33	.	.	PUNCT
iajs-774	36	1	other	other	ADJ
iajs-774	36	2	functional	functional	ADJ
iajs-774	36	3	groups	group	NOUN
iajs-774	36	4	such	such	ADJ
iajs-774	36	5	as	as	ADP
iajs-774	36	6	oh	oh	NUM
iajs-774	36	7	are	be	AUX
iajs-774	36	8	also	also	ADV
iajs-774	36	9	present	present	ADJ
iajs-774	36	10	in	in	ADP
iajs-774	36	11	the	the	DET
iajs-774	36	12	chosen	choose	VERB
iajs-774	36	13	molecules	molecule	NOUN
iajs-774	36	14	.	.	PUNCT
iajs-774	37	1	the	the	DET
iajs-774	37	2	chosen	choose	VERB
iajs-774	37	3	=	=	PROPN
iajs-774	37	4	n	n	PROPN
iajs-774	37	5	b	b	NOUN
iajs-774	37	6	c	c	NOUN
iajs-774	37	7	-2	-2	INTJ
iajs-774	37	8	.0	.0	NUM
iajs-774	37	9	9	9	NUM
iajs-774	37	10	(	(	PUNCT
iajs-774	37	11	e	e	NOUN
iajs-774	37	12	m	m	PROPN
iajs-774	37	13	p	p	PROPN
iajs-774	37	14	ir	ir	PROPN
iajs-774	37	15	ica	ica	PROPN
iajs-774	37	16	l	l	NOUN
iajs-774	37	17	)	)	PUNCT
iajs-774	38	1	p	p	X
iajs-774	39	1	i	i	PRON
iajs-774	39	2	i	i	PRON
iajs-774	39	3	i	i	VERB
iajs-774	39	4	ibn	ibn	PROPN
iajs-774	39	5	alhaitham	alhaitham	NOUN
iajs-774	39	6	j.	j.	PROPN
iajs-774	39	7	for	for	ADP
iajs-774	39	8	pure	pure	ADJ
iajs-774	39	9	&	&	CCONJ
iajs-774	39	10	appl	appl	PROPN
iajs-774	39	11	.	.	PUNCT
iajs-774	40	1	sci	sci	PROPN
iajs-774	40	2	.	.	PUNCT
iajs-774	40	3	vol.24	vol.24	NOUN
iajs-774	40	4	(	(	PUNCT
iajs-774	40	5	2	2	NUM
iajs-774	40	6	)	)	PUNCT
iajs-774	40	7	2011	2011	NUM
iajs-774	40	8	compounds	compound	NOUN
iajs-774	40	9	can	can	AUX
iajs-774	40	10	be	be	AUX
iajs-774	40	11	also	also	ADV
iajs-774	40	12	divided	divide	VERB
iajs-774	40	13	into	into	ADP
iajs-774	40	14	mono-	mono-	NUM
iajs-774	40	15	,	,	PUNCT
iajs-774	40	16	diand	diand	NOUN
iajs-774	40	17	tetraiodo	tetraiodo	NOUN
iajs-774	40	18	compounds	compound	VERB
iajs-774	40	19	.	.	PUNCT
iajs-774	41	1	thus	thus	ADV
iajs-774	41	2	,	,	PUNCT
iajs-774	41	3	the	the	DET
iajs-774	41	4	chosen	choose	VERB
iajs-774	41	5	molecules	molecule	NOUN
iajs-774	41	6	include	include	VERB
iajs-774	41	7	various	various	ADJ
iajs-774	41	8	classes	class	NOUN
iajs-774	41	9	of	of	ADP
iajs-774	41	10	iodo	iodo	NOUN
iajs-774	41	11	compounds	compound	NOUN
iajs-774	41	12	.	.	PUNCT
iajs-774	42	1	by	by	ADP
iajs-774	42	2	using	use	VERB
iajs-774	42	3	the	the	DET
iajs-774	42	4	least	least	ADJ
iajs-774	42	5	squares	square	NOUN
iajs-774	42	6	method	method	NOUN
iajs-774	42	7	and	and	CCONJ
iajs-774	42	8	eq	eq	NOUN
iajs-774	42	9	.	.	PUNCT
iajs-774	43	1	(	(	PUNCT
iajs-774	43	2	4	4	X
iajs-774	43	3	)	)	PUNCT
iajs-774	43	4	can	can	AUX
iajs-774	43	5	derive	derive	VERB
iajs-774	43	6	c	c	NOUN
iajs-774	43	7	-	-	PUNCT
iajs-774	43	8	i	i	PRON
iajs-774	43	9	bond	bond	NOUN
iajs-774	43	10	contribution	contribution	NOUN
iajs-774	43	11	to	to	PART
iajs-774	43	12	calculate	calculate	VERB
iajs-774	43	13	zpe	zpe	PROPN
iajs-774	43	14	value	value	NOUN
iajs-774	43	15	.	.	PUNCT
iajs-774	44	1	the	the	DET
iajs-774	44	2	contribution	contribution	NOUN
iajs-774	44	3	of	of	ADP
iajs-774	44	4	c	c	NOUN
iajs-774	44	5	-	-	PUNCT
iajs-774	44	6	i	i	PRON
iajs-774	44	7	bond	bond	NOUN
iajs-774	44	8	as	as	ADV
iajs-774	44	9	well	well	ADV
iajs-774	44	10	as	as	ADP
iajs-774	44	11	the	the	DET
iajs-774	44	12	contributions	contribution	NOUN
iajs-774	44	13	already	already	ADV
iajs-774	44	14	established	establish	VERB
iajs-774	44	15	[	[	PUNCT
iajs-774	44	16	7	7	NUM
iajs-774	44	17	-	-	SYM
iajs-774	44	18	8	8	NUM
iajs-774	44	19	]	]	PUNCT
iajs-774	44	20	for	for	ADP
iajs-774	44	21	the	the	DET
iajs-774	44	22	other	other	ADJ
iajs-774	44	23	bonds	bond	NOUN
iajs-774	44	24	are	be	AUX
iajs-774	44	25	given	give	VERB
iajs-774	44	26	in	in	ADP
iajs-774	44	27	table	table	NOUN
iajs-774	44	28	(	(	PUNCT
iajs-774	44	29	2	2	NUM
iajs-774	44	30	)	)	PUNCT
iajs-774	44	31	.	.	PUNCT
iajs-774	45	1	the	the	DET
iajs-774	45	2	derived	derive	VERB
iajs-774	45	3	c	c	NOUN
iajs-774	45	4	-	-	PUNCT
iajs-774	45	5	i	i	PRON
iajs-774	45	6	bond	bond	NOUN
iajs-774	45	7	contribution	contribution	NOUN
iajs-774	45	8	value	value	NOUN
iajs-774	45	9	is	be	AUX
iajs-774	45	10	1.6344	1.6344	NUM
iajs-774	45	11	kcal	kcal	NOUN
iajs-774	45	12	/	/	SYM
iajs-774	45	13	mol	mol	PROPN
iajs-774	45	14	.	.	PUNCT
iajs-774	46	1	to	to	PART
iajs-774	46	2	test	test	VERB
iajs-774	46	3	the	the	DET
iajs-774	46	4	reliability	reliability	NOUN
iajs-774	46	5	of	of	ADP
iajs-774	46	6	the	the	DET
iajs-774	46	7	generalized	generalized	ADJ
iajs-774	46	8	empirical	empirical	ADJ
iajs-774	46	9	formula	formula	NOUN
iajs-774	46	10	,	,	PUNCT
iajs-774	46	11	it	it	PRON
iajs-774	46	12	is	be	AUX
iajs-774	46	13	applied	apply	VERB
iajs-774	46	14	to	to	ADP
iajs-774	46	15	38	38	NUM
iajs-774	46	16	iodo	iodo	ADP
iajs-774	46	17	compounds	compound	NOUN
iajs-774	46	18	of	of	ADP
iajs-774	46	19	various	various	ADJ
iajs-774	46	20	classes	class	NOUN
iajs-774	46	21	(	(	PUNCT
iajs-774	46	22	iodoalkanes	iodoalkane	NOUN
iajs-774	46	23	,	,	PUNCT
iajs-774	46	24	iodoalkenes	iodoalkene	NOUN
iajs-774	46	25	,	,	PUNCT
iajs-774	46	26	iodoalkynes	iodoalkyne	NOUN
iajs-774	46	27	,	,	PUNCT
iajs-774	46	28	iodoaromatics	iodoaromatic	NOUN
iajs-774	46	29	,	,	PUNCT
iajs-774	46	30	etc	etc	X
iajs-774	46	31	.	.	X
iajs-774	46	32	)	)	PUNCT
iajs-774	46	33	.	.	PUNCT
iajs-774	47	1	the	the	DET
iajs-774	47	2	results	result	NOUN
iajs-774	47	3	in	in	ADP
iajs-774	47	4	table	table	NOUN
iajs-774	47	5	(	(	PUNCT
iajs-774	47	6	1	1	X
iajs-774	47	7	)	)	PUNCT
iajs-774	47	8	show	show	VERB
iajs-774	47	9	that	that	SCONJ
iajs-774	47	10	the	the	DET
iajs-774	47	11	calculated	calculated	ADJ
iajs-774	47	12	values	value	NOUN
iajs-774	47	13	correlate	correlate	VERB
iajs-774	47	14	well	well	ADV
iajs-774	47	15	with	with	ADP
iajs-774	47	16	the	the	DET
iajs-774	47	17	experimental	experimental	ADJ
iajs-774	47	18	values	value	NOUN
iajs-774	47	19	.	.	PUNCT
iajs-774	48	1	the	the	DET
iajs-774	48	2	correlation	correlation	NOUN
iajs-774	48	3	between	between	ADP
iajs-774	48	4	the	the	DET
iajs-774	48	5	experimental	experimental	ADJ
iajs-774	48	6	and	and	CCONJ
iajs-774	48	7	empirical	empirical	ADJ
iajs-774	48	8	values	value	NOUN
iajs-774	48	9	list	list	NOUN
iajs-774	48	10	in	in	ADP
iajs-774	48	11	fig	fig	NOUN
iajs-774	48	12	(	(	PUNCT
iajs-774	48	13	1	1	NUM
iajs-774	48	14	)	)	PUNCT
iajs-774	48	15	,	,	PUNCT
iajs-774	48	16	standard	standard	ADJ
iajs-774	48	17	deviation	deviation	NOUN
iajs-774	48	18	,	,	PUNCT
iajs-774	48	19	sd	sd	NOUN
iajs-774	48	20	,	,	PUNCT
iajs-774	48	21	is	be	AUX
iajs-774	48	22	0.681	0.681	NUM
iajs-774	48	23	,	,	PUNCT
iajs-774	48	24	slope	slope	NOUN
iajs-774	48	25	is	be	AUX
iajs-774	48	26	close	close	ADJ
iajs-774	48	27	to	to	ADP
iajs-774	48	28	unity	unity	NOUN
iajs-774	48	29	1.013	1.013	NUM
iajs-774	48	30	,	,	PUNCT
iajs-774	48	31	correlation	correlation	NOUN
iajs-774	48	32	coefficient	coefficient	NOUN
iajs-774	48	33	is	be	AUX
iajs-774	48	34	099979	099979	NUM
iajs-774	48	35	and	and	CCONJ
iajs-774	48	36	average	average	ADJ
iajs-774	48	37	error	error	NOUN
iajs-774	48	38	is	be	AUX
iajs-774	48	39	0.47	0.47	NUM
iajs-774	48	40	.	.	PUNCT
iajs-774	49	1	this	this	PRON
iajs-774	49	2	means	mean	VERB
iajs-774	49	3	the	the	DET
iajs-774	49	4	developed	developed	ADJ
iajs-774	49	5	c	c	NOUN
iajs-774	49	6	-	-	PUNCT
iajs-774	49	7	i	i	PRON
iajs-774	49	8	bond	bond	NOUN
iajs-774	49	9	contribution	contribution	NOUN
iajs-774	49	10	could	could	AUX
iajs-774	49	11	reproduce	reproduce	VERB
iajs-774	49	12	the	the	DET
iajs-774	49	13	experimental	experimental	ADJ
iajs-774	49	14	zpe	zpe	NOUN
iajs-774	49	15	values	value	NOUN
iajs-774	49	16	for	for	ADP
iajs-774	49	17	an	an	DET
iajs-774	49	18	iodo	iodo	ADJ
iajs-774	49	19	organic	organic	ADJ
iajs-774	49	20	compounds	compound	NOUN
iajs-774	49	21	.	.	PUNCT
iajs-774	50	1	the	the	DET
iajs-774	50	2	table	table	NOUN
iajs-774	50	3	(	(	PUNCT
iajs-774	50	4	1	1	X
iajs-774	50	5	)	)	PUNCT
iajs-774	50	6	shows	show	VERB
iajs-774	50	7	that	that	SCONJ
iajs-774	50	8	there	there	PRON
iajs-774	50	9	is	be	VERB
iajs-774	50	10	little	little	ADJ
iajs-774	50	11	difference	difference	NOUN
iajs-774	50	12	between	between	ADP
iajs-774	50	13	the	the	DET
iajs-774	50	14	experimental	experimental	ADJ
iajs-774	50	15	values	value	NOUN
iajs-774	50	16	of	of	ADP
iajs-774	50	17	zpe	zpe	NOUN
iajs-774	50	18	and	and	CCONJ
iajs-774	50	19	those	those	PRON
iajs-774	50	20	calculated	calculate	VERB
iajs-774	50	21	empirically	empirically	ADV
iajs-774	50	22	,	,	PUNCT
iajs-774	50	23	less	less	ADJ
iajs-774	50	24	than	than	ADP
iajs-774	50	25	1.3	1.3	NUM
iajs-774	50	26	kcal	kcal	NOUN
iajs-774	50	27	/	/	SYM
iajs-774	50	28	mol	mol	NOUN
iajs-774	50	29	in	in	ADP
iajs-774	50	30	all	all	DET
iajs-774	50	31	cases	case	NOUN
iajs-774	50	32	except	except	SCONJ
iajs-774	50	33	tert	tert	NOUN
iajs-774	50	34	-	-	PUNCT
iajs-774	50	35	butyl	butyl	NOUN
iajs-774	50	36	iodide	iodide	NOUN
iajs-774	50	37	was	be	AUX
iajs-774	50	38	2.29	2.29	NUM
iajs-774	50	39	kcal	kcal	NOUN
iajs-774	50	40	/	/	SYM
iajs-774	50	41	mol	mol	PROPN
iajs-774	50	42	.	.	PUNCT
iajs-774	51	1	the	the	DET
iajs-774	51	2	standard	standard	ADJ
iajs-774	51	3	deviation	deviation	NOUN
iajs-774	51	4	,	,	PUNCT
iajs-774	51	5	sd	sd	NOUN
iajs-774	51	6	,	,	PUNCT
iajs-774	51	7	average	average	ADJ
iajs-774	51	8	error	error	NOUN
iajs-774	51	9	,	,	PUNCT
iajs-774	51	10	slope	slope	NOUN
iajs-774	51	11	and	and	CCONJ
iajs-774	51	12	correlation	correlation	NOUN
iajs-774	51	13	coefficient	coefficient	NOUN
iajs-774	51	14	will	will	AUX
iajs-774	51	15	be	be	AUX
iajs-774	51	16	improved	improve	VERB
iajs-774	51	17	to	to	ADP
iajs-774	51	18	0.579	0.579	NUM
iajs-774	51	19	,	,	PUNCT
iajs-774	51	20	0.42	0.42	NUM
iajs-774	51	21	,	,	PUNCT
iajs-774	51	22	1.011	1.011	NUM
iajs-774	51	23	and	and	CCONJ
iajs-774	51	24	0.99984	0.99984	NUM
iajs-774	51	25	respectively	respectively	ADV
iajs-774	51	26	if	if	SCONJ
iajs-774	51	27	the	the	DET
iajs-774	51	28	tertbutyliodide	tertbutyliodide	ADJ
iajs-774	51	29	value	value	NOUN
iajs-774	51	30	is	be	AUX
iajs-774	51	31	neglected	neglect	VERB
iajs-774	51	32	fig	fig	NOUN
iajs-774	51	33	(	(	PUNCT
iajs-774	51	34	2	2	NUM
iajs-774	51	35	)	)	PUNCT
iajs-774	51	36	.	.	PUNCT
iajs-774	52	1	the	the	DET
iajs-774	52	2	same	same	ADJ
iajs-774	52	3	iodo	iodo	NOUN
iajs-774	52	4	compounds	compound	NOUN
iajs-774	52	5	are	be	AUX
iajs-774	52	6	calculated	calculate	VERB
iajs-774	52	7	by	by	ADP
iajs-774	52	8	using	use	VERB
iajs-774	52	9	the	the	DET
iajs-774	52	10	semi	semi	ADJ
iajs-774	52	11	empirical	empirical	ADJ
iajs-774	52	12	(	(	PUNCT
iajs-774	52	13	am	be	AUX
iajs-774	52	14	1	1	NUM
iajs-774	52	15	)	)	PUNCT
iajs-774	52	16	method	method	NOUN
iajs-774	52	17	.	.	PUNCT
iajs-774	53	1	the	the	DET
iajs-774	53	2	results	result	NOUN
iajs-774	53	3	are	be	AUX
iajs-774	53	4	corrected	correct	VERB
iajs-774	53	5	by	by	ADP
iajs-774	53	6	a	a	DET
iajs-774	53	7	factor	factor	NOUN
iajs-774	53	8	of	of	ADP
iajs-774	53	9	0.96	0.96	NUM
iajs-774	53	10	table	table	NOUN
iajs-774	53	11	(	(	PUNCT
iajs-774	53	12	1	1	NUM
iajs-774	53	13	)	)	PUNCT
iajs-774	53	14	.	.	PUNCT
iajs-774	54	1	the	the	DET
iajs-774	54	2	standard	standard	ADJ
iajs-774	54	3	division	division	NOUN
iajs-774	54	4	,	,	PUNCT
iajs-774	54	5	sd	sd	NOUN
iajs-774	54	6	,	,	PUNCT
iajs-774	54	7	slope	slope	NOUN
iajs-774	54	8	,	,	PUNCT
iajs-774	54	9	average	average	ADJ
iajs-774	54	10	error	error	NOUN
iajs-774	54	11	,	,	PUNCT
iajs-774	54	12	and	and	CCONJ
iajs-774	54	13	correlation	correlation	NOUN
iajs-774	54	14	coefficient	coefficient	NOUN
iajs-774	54	15	are	be	AUX
iajs-774	54	16	0.824	0.824	NUM
iajs-774	54	17	,	,	PUNCT
iajs-774	54	18	1.011	1.011	NUM
iajs-774	54	19	,	,	PUNCT
iajs-774	54	20	0.646	0.646	NUM
iajs-774	54	21	and	and	CCONJ
iajs-774	54	22	0.99963	0.99963	NUM
iajs-774	54	23	respectively	respectively	ADV
iajs-774	54	24	fig	fig	NOUN
iajs-774	54	25	(	(	PUNCT
iajs-774	54	26	3	3	NUM
iajs-774	54	27	)	)	PUNCT
iajs-774	54	28	.	.	PUNCT
iajs-774	55	1	the	the	DET
iajs-774	55	2	comparison	comparison	NOUN
iajs-774	55	3	between	between	ADP
iajs-774	55	4	the	the	DET
iajs-774	55	5	semi	semi	ADJ
iajs-774	55	6	empirical	empirical	ADJ
iajs-774	55	7	(	(	PUNCT
iajs-774	55	8	am	be	AUX
iajs-774	55	9	1	1	NUM
iajs-774	55	10	)	)	PUNCT
iajs-774	55	11	values	value	NOUN
iajs-774	55	12	and	and	CCONJ
iajs-774	55	13	empirical	empirical	ADJ
iajs-774	55	14	estimation	estimation	NOUN
iajs-774	55	15	values	value	NOUN
iajs-774	55	16	shows	show	VERB
iajs-774	55	17	that	that	SCONJ
iajs-774	55	18	the	the	DET
iajs-774	55	19	empirical	empirical	ADJ
iajs-774	55	20	estimation	estimation	NOUN
iajs-774	55	21	values	value	NOUN
iajs-774	55	22	are	be	AUX
iajs-774	55	23	closer	close	ADJ
iajs-774	55	24	to	to	ADP
iajs-774	55	25	experimental	experimental	ADJ
iajs-774	55	26	values	value	NOUN
iajs-774	55	27	.	.	PUNCT
iajs-774	56	1	conclusion	conclusion	NOUN
iajs-774	56	2	in	in	ADP
iajs-774	56	3	this	this	DET
iajs-774	56	4	study	study	NOUN
iajs-774	56	5	the	the	DET
iajs-774	56	6	zero	zero	NUM
iajs-774	56	7	point	point	NOUN
iajs-774	56	8	energy	energy	NOUN
iajs-774	56	9	zpe	zpe	NOUN
iajs-774	56	10	values	value	NOUN
iajs-774	56	11	of	of	ADP
iajs-774	56	12	iodo	iodo	ADJ
iajs-774	56	13	organic	organic	ADJ
iajs-774	56	14	compounds	compound	NOUN
iajs-774	56	15	are	be	AUX
iajs-774	56	16	calculated	calculate	VERB
iajs-774	56	17	using	use	VERB
iajs-774	56	18	the	the	DET
iajs-774	56	19	contribution	contribution	NOUN
iajs-774	56	20	of	of	ADP
iajs-774	56	21	the	the	DET
iajs-774	56	22	c	c	NOUN
iajs-774	56	23	-	-	PUNCT
iajs-774	56	24	i	i	PRON
iajs-774	56	25	bond	bond	NOUN
iajs-774	56	26	determined	determine	VERB
iajs-774	56	27	.	.	PUNCT
iajs-774	57	1	the	the	DET
iajs-774	57	2	results	result	NOUN
iajs-774	57	3	obtained	obtain	VERB
iajs-774	57	4	are	be	AUX
iajs-774	57	5	compared	compare	VERB
iajs-774	57	6	with	with	ADP
iajs-774	57	7	the	the	DET
iajs-774	57	8	experimental	experimental	ADJ
iajs-774	57	9	results	result	NOUN
iajs-774	57	10	available	available	ADJ
iajs-774	57	11	and	and	CCONJ
iajs-774	57	12	with	with	ADP
iajs-774	57	13	the	the	DET
iajs-774	57	14	results	result	NOUN
iajs-774	57	15	obtained	obtain	VERB
iajs-774	57	16	using	use	VERB
iajs-774	57	17	the	the	DET
iajs-774	57	18	semi	semi	ADJ
iajs-774	57	19	-	-	ADJ
iajs-774	57	20	empirical	empirical	ADJ
iajs-774	57	21	method	method	NOUN
iajs-774	57	22	(	(	PUNCT
iajs-774	57	23	am1	am1	PROPN
iajs-774	57	24	)	)	PUNCT
iajs-774	57	25	.	.	PUNCT
iajs-774	58	1	the	the	DET
iajs-774	58	2	empirical	empirical	ADJ
iajs-774	58	3	method	method	NOUN
iajs-774	58	4	provides	provide	VERB
iajs-774	58	5	a	a	DET
iajs-774	58	6	simple	simple	ADJ
iajs-774	58	7	and	and	CCONJ
iajs-774	58	8	quick	quick	ADJ
iajs-774	58	9	method	method	NOUN
iajs-774	58	10	of	of	ADP
iajs-774	58	11	calculating	calculate	VERB
iajs-774	58	12	zpe	zpe	NOUN
iajs-774	58	13	values	value	NOUN
iajs-774	58	14	of	of	ADP
iajs-774	58	15	iodo	iodo	NOUN
iajs-774	58	16	compounds	compound	NOUN
iajs-774	58	17	.	.	PUNCT
iajs-774	59	1	references	reference	NOUN
iajs-774	59	2	1.martin	1.martin	NUM
iajs-774	59	3	,	,	PUNCT
iajs-774	59	4	m.	m.	NOUN
iajs-774	59	5	l.	l.	PROPN
iajs-774	59	6	(	(	PUNCT
iajs-774	59	7	1998	1998	NUM
iajs-774	59	8	)	)	PUNCT
iajs-774	59	9	“	"	PUNCT
iajs-774	59	10	ab	ab	PROPN
iajs-774	59	11	initio	initio	PROPN
iajs-774	59	12	thermochemistry	thermochemistry	PROPN
iajs-774	59	13	beyond	beyond	ADP
iajs-774	59	14	chemical	chemical	ADJ
iajs-774	59	15	accuracy	accuracy	NOUN
iajs-774	59	16	for	for	ADP
iajs-774	59	17	first	first	ADJ
iajs-774	59	18	-	-	PUNCT
iajs-774	59	19	and	and	CCONJ
iajs-774	59	20	second	second	ADJ
iajs-774	59	21	-	-	PUNCT
iajs-774	59	22	row	row	NOUN
iajs-774	59	23	compounds	compound	NOUN
iajs-774	59	24	”	"	PUNCT
iajs-774	59	25	physics	physics	PROPN
iajs-774	59	26	,	,	PUNCT
iajs-774	59	27	cornell	cornell	PROPN
iajs-774	59	28	,	,	PUNCT
iajs-774	59	29	ithaca	ithaca	PROPN
iajs-774	59	30	new	new	PROPN
iajs-774	59	31	york	york	PROPN
iajs-774	59	32	,	,	PUNCT
iajs-774	59	33	980813	980813	NUM
iajs-774	59	34	.	.	PUNCT
iajs-774	60	1	2.flanigan	2.flanigan	NUM
iajs-774	60	2	,	,	PUNCT
iajs-774	60	3	m.	m.	NOUN
iajs-774	60	4	c.	c.	PROPN
iajs-774	60	5	;	;	PUNCT
iajs-774	60	6	kormornicki	kormornicki	PROPN
iajs-774	60	7	,	,	PUNCT
iajs-774	60	8	a.	a.	NOUN
iajs-774	60	9	and	and	CCONJ
iajs-774	60	10	mclver	mclver	PROPN
iajs-774	60	11	,	,	PUNCT
iajs-774	60	12	j.	j.	PROPN
iajs-774	60	13	w.	w.	PROPN
iajs-774	60	14	jr	jr	PROPN
iajs-774	60	15	,	,	PUNCT
iajs-774	60	16	(	(	PUNCT
iajs-774	60	17	1977	1977	NUM
iajs-774	60	18	)	)	PUNCT
iajs-774	60	19	,	,	PUNCT
iajs-774	60	20	“	"	PUNCT
iajs-774	60	21	electronic	electronic	ADJ
iajs-774	60	22	structure	structure	NOUN
iajs-774	60	23	calculation	calculation	NOUN
iajs-774	60	24	”	"	PUNCT
iajs-774	60	25	,	,	PUNCT
iajs-774	60	26	in	in	ADP
iajs-774	60	27	seg	seg	PROPN
iajs-774	60	28	g.	g.	PROPN
iajs-774	60	29	a.	a.	PROPN
iajs-774	60	30	ed	ed	PROPN
iajs-774	60	31	.	.	PUNCT
iajs-774	61	1	(	(	PUNCT
iajs-774	61	2	plenum	plenum	PROPN
iajs-774	61	3	press	press	PROPN
iajs-774	61	4	,	,	PUNCT
iajs-774	61	5	new	new	ADJ
iajs-774	61	6	yourk	yourk	PROPN
iajs-774	61	7	)	)	PUNCT
iajs-774	61	8	.	.	PUNCT
iajs-774	62	1	3.schulman	3.schulman	NUM
iajs-774	62	2	,	,	PUNCT
iajs-774	62	3	j.	j.	PROPN
iajs-774	62	4	m	m	PROPN
iajs-774	62	5	.	.	PUNCT
iajs-774	63	1	and	and	CCONJ
iajs-774	63	2	disch	disch	PROPN
iajs-774	63	3	,	,	PUNCT
iajs-774	63	4	r.	r.	PROPN
iajs-774	63	5	l.	l.	PROPN
iajs-774	63	6	,	,	PUNCT
iajs-774	63	7	(	(	PUNCT
iajs-774	63	8	1985	1985	NUM
iajs-774	63	9	)	)	PUNCT
iajs-774	63	10	,	,	PUNCT
iajs-774	63	11	“	"	PUNCT
iajs-774	63	12	a	a	DET
iajs-774	63	13	simple	simple	ADJ
iajs-774	63	14	formula	formula	NOUN
iajs-774	63	15	for	for	ADP
iajs-774	63	16	the	the	DET
iajs-774	63	17	zero	zero	NUM
iajs-774	63	18	-	-	PUNCT
iajs-774	63	19	point	point	NOUN
iajs-774	63	20	energies	energy	NOUN
iajs-774	63	21	of	of	ADP
iajs-774	63	22	hydrocarbons	hydrocarbon	NOUN
iajs-774	63	23	”	"	PUNCT
iajs-774	63	24	,	,	PUNCT
iajs-774	63	25	chem	chem	NOUN
iajs-774	63	26	.	.	PUNCT
iajs-774	64	1	phys	phy	NOUN
iajs-774	64	2	.	.	PUNCT
iajs-774	65	1	lett	lett	PROPN
iajs-774	65	2	.	.	PROPN
iajs-774	65	3	113	113	NUM
iajs-774	65	4	,	,	PUNCT
iajs-774	65	5	291	291	NUM
iajs-774	65	6	-	-	SYM
iajs-774	65	7	293	293	NUM
iajs-774	65	8	.	.	PUNCT
iajs-774	66	1	4.ibrahim	4.ibrahim	NUM
iajs-774	66	2	,	,	PUNCT
iajs-774	66	3	m.	m.	PROPN
iajs-774	66	4	r.	r.	PROPN
iajs-774	66	5	and	and	CCONJ
iajs-774	66	6	fataftah	fataftah	PROPN
iajs-774	66	7	,	,	PUNCT
iajs-774	66	8	z.	z.	PROPN
iajs-774	66	9	a.	a.	PROPN
iajs-774	66	10	,	,	PUNCT
iajs-774	66	11	(	(	PUNCT
iajs-774	66	12	1986	1986	NUM
iajs-774	66	13	)	)	PUNCT
iajs-774	66	14	,	,	PUNCT
iajs-774	66	15	“	"	PUNCT
iajs-774	66	16	estimation	estimation	NOUN
iajs-774	66	17	of	of	ADP
iajs-774	66	18	zero	zero	NUM
iajs-774	66	19	-	-	PUNCT
iajs-774	66	20	point	point	NOUN
iajs-774	66	21	energies	energy	NOUN
iajs-774	66	22	of	of	ADP
iajs-774	66	23	compounds	compound	NOUN
iajs-774	66	24	containing	contain	VERB
iajs-774	66	25	n	n	CCONJ
iajs-774	66	26	,	,	PUNCT
iajs-774	66	27	o	o	NOUN
iajs-774	66	28	,	,	PUNCT
iajs-774	66	29	cl	cl	NOUN
iajs-774	66	30	and	and	CCONJ
iajs-774	66	31	f	f	PROPN
iajs-774	66	32	atoms	atom	NOUN
iajs-774	66	33	”	"	PUNCT
iajs-774	66	34	,	,	PUNCT
iajs-774	66	35	chem	chem	NOUN
iajs-774	66	36	.	.	PUNCT
iajs-774	67	1	phys	phy	NOUN
iajs-774	67	2	.	.	PUNCT
iajs-774	68	1	let	let	VERB
iajs-774	68	2	.	.	PUNCT
iajs-774	69	1	125	125	NUM
iajs-774	69	2	,	,	PUNCT
iajs-774	69	3	149	149	NUM
iajs-774	69	4	-	-	SYM
iajs-774	69	5	154	154	NUM
iajs-774	69	6	.	.	PUNCT
iajs-774	70	1	5.ibrahim	5.ibrahim	NUM
iajs-774	70	2	,	,	PUNCT
iajs-774	70	3	m.	m.	PROPN
iajs-774	70	4	r.	r.	PROPN
iajs-774	70	5	and	and	CCONJ
iajs-774	70	6	fataftah	fataftah	PROPN
iajs-774	70	7	,	,	PUNCT
iajs-774	70	8	z.	z.	PROPN
iajs-774	70	9	a.	a.	PROPN
iajs-774	70	10	,	,	PUNCT
iajs-774	70	11	(	(	PUNCT
iajs-774	70	12	1987	1987	NUM
iajs-774	70	13	)	)	PUNCT
iajs-774	70	14	,	,	PUNCT
iajs-774	70	15	“	"	PUNCT
iajs-774	70	16	estimation	estimation	NOUN
iajs-774	70	17	of	of	ADP
iajs-774	70	18	zero	zero	NUM
iajs-774	70	19	-	-	PUNCT
iajs-774	70	20	point	point	NOUN
iajs-774	70	21	energies	energy	NOUN
iajs-774	70	22	of	of	ADP
iajs-774	70	23	bromo	bromo	NOUN
iajs-774	70	24	and	and	CCONJ
iajs-774	70	25	thio	thio	NOUN
iajs-774	70	26	compounds	compound	NOUN
iajs-774	70	27	”	"	PUNCT
iajs-774	70	28	,	,	PUNCT
iajs-774	70	29	chem	chem	NOUN
iajs-774	70	30	.	.	PUNCT
iajs-774	71	1	phys	phy	NOUN
iajs-774	71	2	.	.	PUNCT
iajs-774	72	1	let	let	VERB
iajs-774	72	2	.	.	PUNCT
iajs-774	73	1	136	136	NUM
iajs-774	73	2	,	,	PUNCT
iajs-774	73	3	583	583	NUM
iajs-774	73	4	-	-	SYM
iajs-774	73	5	587	587	NUM
iajs-774	73	6	.	.	PUNCT
iajs-774	74	1	6.abdulhussain	6.abdulhussain	NUM
iajs-774	74	2	,	,	PUNCT
iajs-774	74	3	nasser	nasser	PROPN
iajs-774	74	4	saeed	saeed	PROPN
iajs-774	74	5	.	.	PUNCT
iajs-774	75	1	(	(	PUNCT
iajs-774	75	2	1999	1999	NUM
iajs-774	75	3	)	)	PUNCT
iajs-774	75	4	,	,	PUNCT
iajs-774	75	5	“	"	PUNCT
iajs-774	75	6	thermochemical	thermochemical	ADJ
iajs-774	75	7	data	datum	NOUN
iajs-774	75	8	of	of	ADP
iajs-774	75	9	carboxylic	carboxylic	ADJ
iajs-774	75	10	acids	acid	NOUN
iajs-774	75	11	,	,	PUNCT
iajs-774	75	12	esters	ester	NOUN
iajs-774	75	13	and	and	CCONJ
iajs-774	75	14	iodo	iodo	ADP
iajs-774	75	15	compounds	compound	NOUN
iajs-774	75	16	”	"	PUNCT
iajs-774	75	17	,	,	PUNCT
iajs-774	75	18	theses	thesis	NOUN
iajs-774	75	19	,	,	PUNCT
iajs-774	75	20	yarmouk	yarmouk	ADV
iajs-774	75	21	university	university	NOUN
iajs-774	75	22	.	.	PUNCT
iajs-774	76	1	7.rahal	7.rahal	NUM
iajs-774	76	2	,	,	PUNCT
iajs-774	76	3	m.	m.	NOUN
iajs-774	76	4	;	;	PUNCT
iajs-774	76	5	hilali	hilali	ADJ
iajs-774	76	6	,	,	PUNCT
iajs-774	76	7	m.	m.	NOUN
iajs-774	76	8	;	;	PUNCT
iajs-774	76	9	el	el	PROPN
iajs-774	76	10	mouhtadi	mouhtadi	PROPN
iajs-774	76	11	,	,	PUNCT
iajs-774	76	12	a.	a.	PROPN
iajs-774	76	13	and	and	CCONJ
iajs-774	76	14	el	el	PROPN
iajs-774	76	15	hajab	hajab	PROPN
iajs-774	76	16	,	,	PUNCT
iajs-774	76	17	a.	a.	NOUN
iajs-774	76	18	,	,	PUNCT
iajs-774	76	19	(	(	PUNCT
iajs-774	76	20	2001	2001	NUM
iajs-774	76	21	)	)	PUNCT
iajs-774	76	22	,	,	PUNCT
iajs-774	76	23	“	"	PUNCT
iajs-774	76	24	calculation	calculation	NOUN
iajs-774	76	25	of	of	ADP
iajs-774	76	26	vibrational	vibrational	ADJ
iajs-774	76	27	zero	zero	NUM
iajs-774	76	28	-	-	PUNCT
iajs-774	76	29	point	point	NOUN
iajs-774	76	30	energy	energy	NOUN
iajs-774	76	31	”	"	PUNCT
iajs-774	76	32	,	,	PUNCT
iajs-774	76	33	j.	j.	PROPN
iajs-774	76	34	mol	mol	PROPN
iajs-774	76	35	.	.	PROPN
iajs-774	76	36	struct	struct	NOUN
iajs-774	76	37	(	(	PUNCT
iajs-774	76	38	themochem	themochem	NOUN
iajs-774	76	39	)	)	PUNCT
iajs-774	76	40	.	.	PUNCT
iajs-774	76	41	,	,	PUNCT
iajs-774	76	42	572	572	NUM
iajs-774	76	43	,	,	PUNCT
iajs-774	76	44	73	73	NUM
iajs-774	76	45	-	-	SYM
iajs-774	76	46	80	80	NUM
iajs-774	76	47	.	.	PUNCT
iajs-774	77	1	8.rahal	8.rahal	NUM
iajs-774	77	2	m.	m.	NOUN
iajs-774	77	3	and	and	CCONJ
iajs-774	77	4	el	el	PROPN
iajs-774	77	5	hajab	hajab	PROPN
iajs-774	77	6	,	,	PUNCT
iajs-774	77	7	a.	a.	NOUN
iajs-774	77	8	,	,	PUNCT
iajs-774	77	9	(	(	PUNCT
iajs-774	77	10	2004	2004	NUM
iajs-774	77	11	)	)	PUNCT
iajs-774	77	12	,	,	PUNCT
iajs-774	77	13	“	"	PUNCT
iajs-774	77	14	vibrational	vibrational	ADJ
iajs-774	77	15	zero	zero	NUM
iajs-774	77	16	-	-	PUNCT
iajs-774	77	17	point	point	NOUN
iajs-774	77	18	energies	energy	NOUN
iajs-774	77	19	of	of	ADP
iajs-774	77	20	bromo	bromo	NOUN
iajs-774	77	21	compounds	compound	NOUN
iajs-774	77	22	”	"	PUNCT
iajs-774	77	23	,	,	PUNCT
iajs-774	77	24	j.	j.	PROPN
iajs-774	77	25	mol	mol	PROPN
iajs-774	77	26	.	.	PROPN
iajs-774	77	27	struct	struct	NOUN
iajs-774	77	28	(	(	PUNCT
iajs-774	77	29	themochem	themochem	NOUN
iajs-774	77	30	)	)	PUNCT
iajs-774	77	31	.	.	PUNCT
iajs-774	77	32	,	,	PUNCT
iajs-774	77	33	668	668	NUM
iajs-774	77	34	,	,	PUNCT
iajs-774	77	35	197	197	NUM
iajs-774	77	36	-	-	SYM
iajs-774	77	37	200	200	NUM
iajs-774	77	38	.	.	PUNCT
iajs-774	78	1	ibn	ibn	PROPN
iajs-774	78	2	alhaitham	alhaitham	PROPN
iajs-774	78	3	j.	j.	PROPN
iajs-774	78	4	for	for	ADP
iajs-774	78	5	pure	pure	ADJ
iajs-774	78	6	&	&	CCONJ
iajs-774	78	7	appl	appl	PROPN
iajs-774	78	8	.	.	PUNCT
iajs-774	79	1	sci	sci	PROPN
iajs-774	79	2	.	.	PUNCT
iajs-774	79	3	vol.24	vol.24	NOUN
iajs-774	79	4	(	(	PUNCT
iajs-774	79	5	2	2	NUM
iajs-774	79	6	)	)	PUNCT
iajs-774	79	7	2011	2011	NUM
iajs-774	79	8	9.dewar	9.dewar	NUM
iajs-774	79	9	,	,	PUNCT
iajs-774	79	10	m.	m.	NOUN
iajs-774	79	11	j.	j.	PROPN
iajs-774	79	12	s.	s.	PROPN
iajs-774	79	13	;	;	PUNCT
iajs-774	79	14	zoebisch	zoebisch	PROPN
iajs-774	79	15	,	,	PUNCT
iajs-774	79	16	e.g.	e.g.	ADV
iajs-774	79	17	;	;	PUNCT
iajs-774	79	18	healy	healy	PROPN
iajs-774	79	19	,	,	PUNCT
iajs-774	79	20	e.f	e.f	PROPN
iajs-774	79	21	.	.	PROPN
iajs-774	79	22	and	and	CCONJ
iajs-774	79	23	stewart	stewart	PROPN
iajs-774	79	24	,	,	PUNCT
iajs-774	79	25	j.	j.	PROPN
iajs-774	79	26	,	,	PUNCT
iajs-774	79	27	(	(	PUNCT
iajs-774	79	28	1985	1985	NUM
iajs-774	79	29	)	)	PUNCT
iajs-774	79	30	,	,	PUNCT
iajs-774	79	31	“	"	PUNCT
iajs-774	79	32	development	development	NOUN
iajs-774	79	33	and	and	CCONJ
iajs-774	79	34	use	use	NOUN
iajs-774	79	35	of	of	ADP
iajs-774	79	36	quantum	quantum	ADJ
iajs-774	79	37	mechanical	mechanical	ADJ
iajs-774	79	38	molecular	molecular	ADJ
iajs-774	79	39	models	model	NOUN
iajs-774	79	40	.	.	PUNCT
iajs-774	80	1	76	76	NUM
iajs-774	80	2	.	.	PUNCT
iajs-774	80	3	am	be	AUX
iajs-774	80	4	1	1	NUM
iajs-774	80	5	:	:	PUNCT
iajs-774	80	6	a	a	DET
iajs-774	80	7	new	new	ADJ
iajs-774	80	8	general	general	ADJ
iajs-774	80	9	purpose	purpose	NOUN
iajs-774	80	10	quantum	quantum	ADJ
iajs-774	80	11	mechanical	mechanical	ADJ
iajs-774	80	12	molecular	molecular	ADJ
iajs-774	80	13	model	model	NOUN
iajs-774	80	14	”	"	PUNCT
iajs-774	80	15	,	,	PUNCT
iajs-774	80	16	j.p	j.p	PROPN
iajs-774	80	17	j.	j.	PROPN
iajs-774	80	18	am	am	PROPN
iajs-774	80	19	.	.	PUNCT
iajs-774	81	1	chem	chem	PROPN
iajs-774	81	2	.	.	PUNCT
iajs-774	82	1	soc	soc	PROPN
iajs-774	82	2	.	.	PUNCT
iajs-774	83	1	107	107	NUM
iajs-774	83	2	3902–3909	3902–3909	NUM
iajs-774	83	3	.	.	PUNCT
iajs-774	84	1	10.gaussian	10.gaussian	NUM
iajs-774	84	2	09	09	NUM
iajs-774	84	3	,	,	PUNCT
iajs-774	84	4	revision	revision	NOUN
iajs-774	84	5	a.02	a.02	PROPN
iajs-774	84	6	,	,	PUNCT
iajs-774	84	7	frisch	frisch	PROPN
iajs-774	84	8	,	,	PUNCT
iajs-774	84	9	m.	m.	NOUN
iajs-774	84	10	j.	j.	PROPN
iajs-774	84	11	;	;	PUNCT
iajs-774	84	12	trucks	truck	NOUN
iajs-774	84	13	,	,	PUNCT
iajs-774	84	14	g.	g.	PROPN
iajs-774	84	15	w.	w.	PROPN
iajs-774	84	16	;	;	PUNCT
iajs-774	85	1	schlegel	schlegel	PROPN
iajs-774	85	2	,	,	PUNCT
iajs-774	85	3	h.	h.	PROPN
iajs-774	85	4	b.	b.	PROPN
iajs-774	85	5	;	;	PUNCT
iajs-774	85	6	scuseria	scuseria	PROPN
iajs-774	85	7	,	,	PUNCT
iajs-774	85	8	g.	g.	PROPN
iajs-774	85	9	e.	e.	PROPN
iajs-774	85	10	;	;	PUNCT
iajs-774	85	11	robb	robb	NOUN
iajs-774	85	12	,	,	PUNCT
iajs-774	85	13	m.	m.	NOUN
iajs-774	85	14	a.	a.	PROPN
iajs-774	85	15	;	;	PUNCT
iajs-774	85	16	cheeseman	cheeseman	PROPN
iajs-774	85	17	,	,	PUNCT
iajs-774	85	18	j.	j.	PROPN
iajs-774	85	19	r.	r.	PROPN
iajs-774	85	20	;	;	PUNCT
iajs-774	85	21	scalmani	scalmani	PROPN
iajs-774	85	22	,	,	PUNCT
iajs-774	85	23	g.	g.	PROPN
iajs-774	85	24	;	;	PUNCT
iajs-774	85	25	barone	barone	PROPN
iajs-774	85	26	,	,	PUNCT
iajs-774	85	27	v.	v.	PROPN
iajs-774	85	28	;	;	PUNCT
iajs-774	85	29	mennucci	mennucci	PROPN
iajs-774	85	30	,	,	PUNCT
iajs-774	85	31	b.	b.	PROPN
iajs-774	85	32	;	;	PUNCT
iajs-774	85	33	petersson	petersson	PROPN
iajs-774	85	34	,	,	PUNCT
iajs-774	85	35	g.	g.	PROPN
iajs-774	85	36	a.	a.	PROPN
iajs-774	85	37	;	;	PUNCT
iajs-774	85	38	nakatsuji	nakatsuji	PROPN
iajs-774	85	39	,	,	PUNCT
iajs-774	85	40	h.	h.	PROPN
iajs-774	85	41	;	;	PUNCT
iajs-774	85	42	caricato	caricato	PROPN
iajs-774	85	43	,	,	PUNCT
iajs-774	85	44	m.	m.	NOUN
iajs-774	85	45	x.	x.	PROPN
iajs-774	85	46	li	li	PROPN
iajs-774	85	47	.	.	PROPN
iajs-774	85	48	;	;	PUNCT
iajs-774	85	49	hratchian	hratchian	PROPN
iajs-774	85	50	,	,	PUNCT
iajs-774	85	51	h.	h.	PROPN
iajs-774	85	52	p.	p.	PROPN
iajs-774	85	53	;	;	PUNCT
iajs-774	86	1	izmaylov	izmaylov	ADV
iajs-774	86	2	,	,	PUNCT
iajs-774	86	3	a.	a.	PROPN
iajs-774	86	4	f.	f.	PROPN
iajs-774	86	5	;	;	PUNCT
iajs-774	86	6	bloino	bloino	PROPN
iajs-774	86	7	,	,	PUNCT
iajs-774	86	8	j.	j.	PROPN
iajs-774	86	9	;	;	PUNCT
iajs-774	86	10	zheng	zheng	PROPN
iajs-774	86	11	,	,	PUNCT
iajs-774	86	12	g.	g.	PROPN
iajs-774	86	13	;	;	PUNCT
iajs-774	86	14	sonnenberg	sonnenberg	PROPN
iajs-774	86	15	,	,	PUNCT
iajs-774	86	16	j.	j.	PROPN
iajs-774	86	17	l.	l.	PROPN
iajs-774	86	18	;	;	PUNCT
iajs-774	86	19	hada	hada	PROPN
iajs-774	86	20	,	,	PUNCT
iajs-774	86	21	m.	m.	NOUN
iajs-774	86	22	;	;	PUNCT
iajs-774	86	23	ehara	ehara	PROPN
iajs-774	86	24	,	,	PUNCT
iajs-774	86	25	m.	m.	NOUN
iajs-774	86	26	;	;	PUNCT
iajs-774	86	27	toyota	toyota	PROPN
iajs-774	86	28	,	,	PUNCT
iajs-774	86	29	k.	k.	PROPN
iajs-774	86	30	;	;	PUNCT
iajs-774	86	31	fukuda	fukuda	PROPN
iajs-774	86	32	,	,	PUNCT
iajs-774	86	33	r.	r.	PROPN
iajs-774	86	34	;	;	PUNCT
iajs-774	86	35	hasegawa	hasegawa	PROPN
iajs-774	86	36	,	,	PUNCT
iajs-774	86	37	j.	j.	PROPN
iajs-774	86	38	;	;	PUNCT
iajs-774	86	39	ishida	ishida	PROPN
iajs-774	86	40	,	,	PUNCT
iajs-774	86	41	m.	m.	NOUN
iajs-774	86	42	;	;	PUNCT
iajs-774	86	43	nakajima	nakajima	PROPN
iajs-774	86	44	,	,	PUNCT
iajs-774	86	45	t.	t.	PROPN
iajs-774	86	46	;	;	PUNCT
iajs-774	86	47	honda	honda	NOUN
iajs-774	86	48	,	,	PUNCT
iajs-774	86	49	y.	y.	PROPN
iajs-774	86	50	;	;	PUNCT
iajs-774	86	51	kitao	kitao	PROPN
iajs-774	86	52	,	,	PUNCT
iajs-774	86	53	o.	o.	PROPN
iajs-774	86	54	;	;	PUNCT
iajs-774	86	55	nakai	nakai	PROPN
iajs-774	86	56	,	,	PUNCT
iajs-774	86	57	h.	h.	PROPN
iajs-774	86	58	;	;	PUNCT
iajs-774	86	59	vreven	vreven	VERB
iajs-774	86	60	,	,	PUNCT
iajs-774	86	61	t.	t.	PROPN
iajs-774	86	62	;	;	PUNCT
iajs-774	86	63	montgomery	montgomery	PROPN
iajs-774	86	64	,	,	PUNCT
iajs-774	86	65	j.	j.	PROPN
iajs-774	86	66	a.	a.	PROPN
iajs-774	86	67	jr	jr	PROPN
iajs-774	86	68	.	.	PROPN
iajs-774	86	69	,	,	PUNCT
iajs-774	86	70	;	;	PUNCT
iajs-774	86	71	peralta	peralta	PROPN
iajs-774	86	72	,	,	PUNCT
iajs-774	86	73	j.	j.	PROPN
iajs-774	86	74	e.	e.	PROPN
iajs-774	86	75	;	;	PUNCT
iajs-774	86	76	ogliaro	ogliaro	PROPN
iajs-774	86	77	,	,	PUNCT
iajs-774	86	78	f.	f.	PROPN
iajs-774	86	79	;	;	PUNCT
iajs-774	86	80	bearpark	bearpark	PROPN
iajs-774	86	81	,	,	PUNCT
iajs-774	86	82	m.	m.	NOUN
iajs-774	86	83	;	;	PUNCT
iajs-774	86	84	heyd	heyd	PROPN
iajs-774	86	85	,	,	PUNCT
iajs-774	86	86	j.	j.	PROPN
iajs-774	86	87	j.	j.	PROPN
iajs-774	86	88	;	;	PUNCT
iajs-774	86	89	brothers	brother	NOUN
iajs-774	86	90	,	,	PUNCT
iajs-774	86	91	e.	e.	PROPN
iajs-774	86	92	;	;	PUNCT
iajs-774	86	93	kudin	kudin	PROPN
iajs-774	86	94	,	,	PUNCT
iajs-774	86	95	k.	k.	PROPN
iajs-774	86	96	n.	n.	PROPN
iajs-774	86	97	;	;	PUNCT
iajs-774	86	98	staroverov	staroverov	X
iajs-774	86	99	,	,	PUNCT
iajs-774	86	100	v.	v.	ADP
iajs-774	86	101	n.	n.	NOUN
iajs-774	86	102	;	;	PUNCT
iajs-774	86	103	kobayashi	kobayashi	PROPN
iajs-774	86	104	,	,	PUNCT
iajs-774	86	105	r.	r.	PROPN
iajs-774	86	106	;	;	PUNCT
iajs-774	86	107	normand	normand	PROPN
iajs-774	86	108	,	,	PUNCT
iajs-774	86	109	raghavachari	raghavachari	PROPN
iajs-774	86	110	,	,	PUNCT
iajs-774	86	111	j.	j.	PROPN
iajs-774	86	112	;	;	PUNCT
iajs-774	86	113	k.	k.	PROPN
iajs-774	86	114	;	;	PUNCT
iajs-774	86	115	rendell	rendell	PROPN
iajs-774	86	116	,	,	PUNCT
iajs-774	86	117	a.	a.	NOUN
iajs-774	86	118	;	;	PUNCT
iajs-774	86	119	burant	burant	PROPN
iajs-774	86	120	,	,	PUNCT
iajs-774	86	121	j.	j.	PROPN
iajs-774	86	122	c.	c.	PROPN
iajs-774	86	123	;	;	PUNCT
iajs-774	86	124	iyengar	iyengar	PROPN
iajs-774	86	125	,	,	PUNCT
iajs-774	86	126	s.	s.	PROPN
iajs-774	86	127	s.	s.	PROPN
iajs-774	86	128	;	;	PUNCT
iajs-774	86	129	tomasi	tomasi	PROPN
iajs-774	86	130	,	,	PUNCT
iajs-774	86	131	j.	j.	PROPN
iajs-774	86	132	;	;	PUNCT
iajs-774	86	133	cossi	cossi	PROPN
iajs-774	86	134	,	,	PUNCT
iajs-774	86	135	m.	m.	NOUN
iajs-774	86	136	;	;	PUNCT
iajs-774	86	137	rega	rega	PROPN
iajs-774	86	138	,	,	PUNCT
iajs-774	86	139	n.	n.	NOUN
iajs-774	86	140	;	;	PUNCT
iajs-774	86	141	millam	millam	PROPN
iajs-774	86	142	,	,	PUNCT
iajs-774	86	143	j.	j.	PROPN
iajs-774	86	144	m.	m.	PROPN
iajs-774	86	145	;	;	PUNCT
iajs-774	86	146	klene	klene	PROPN
iajs-774	86	147	,	,	PUNCT
iajs-774	86	148	m.	m.	NOUN
iajs-774	86	149	;	;	PUNCT
iajs-774	86	150	knox	knox	PROPN
iajs-774	86	151	,	,	PUNCT
iajs-774	86	152	j.	j.	PROPN
iajs-774	86	153	e.	e.	PROPN
iajs-774	86	154	;	;	PUNCT
iajs-774	86	155	cross	cross	PROPN
iajs-774	86	156	,	,	PUNCT
iajs-774	86	157	j.	j.	PROPN
iajs-774	86	158	b.	b.	PROPN
iajs-774	86	159	;	;	PUNCT
iajs-774	86	160	bakken	bakken	PROPN
iajs-774	86	161	,	,	PUNCT
iajs-774	86	162	v.	v.	PROPN
iajs-774	86	163	;	;	PUNCT
iajs-774	86	164	adamo	adamo	PROPN
iajs-774	86	165	,	,	PUNCT
iajs-774	86	166	c.	c.	PROPN
iajs-774	86	167	;	;	PUNCT
iajs-774	86	168	jaramillo	jaramillo	PROPN
iajs-774	86	169	,	,	PUNCT
iajs-774	86	170	j.	j.	PROPN
iajs-774	86	171	;	;	PUNCT
iajs-774	86	172	gomperts	gomperts	PROPN
iajs-774	86	173	,	,	PUNCT
iajs-774	86	174	r.	r.	PROPN
iajs-774	86	175	;	;	PUNCT
iajs-774	86	176	stratmann	stratmann	PROPN
iajs-774	86	177	,	,	PUNCT
iajs-774	86	178	r.	r.	PROPN
iajs-774	86	179	e.	e.	PROPN
iajs-774	86	180	;	;	PUNCT
iajs-774	86	181	yazyev	yazyev	PROPN
iajs-774	86	182	,	,	PUNCT
iajs-774	86	183	o.	o.	PROPN
iajs-774	86	184	;	;	PUNCT
iajs-774	86	185	a.	a.	PROPN
iajs-774	86	186	austin	austin	PROPN
iajs-774	86	187	,	,	PUNCT
iajs-774	86	188	j.	j.	PROPN
iajs-774	86	189	;	;	PUNCT
iajs-774	86	190	cammi	cammi	PROPN
iajs-774	86	191	,	,	PUNCT
iajs-774	86	192	r.	r.	PROPN
iajs-774	86	193	;	;	PUNCT
iajs-774	86	194	pomelli	pomelli	PROPN
iajs-774	86	195	,	,	PUNCT
iajs-774	86	196	c.	c.	NOUN
iajs-774	86	197	;	;	PUNCT
iajs-774	86	198	ochterski	ochterski	PROPN
iajs-774	86	199	,	,	PUNCT
iajs-774	86	200	j.	j.	PROPN
iajs-774	86	201	w.	w.	PROPN
iajs-774	86	202	;	;	PUNCT
iajs-774	86	203	martin	martin	PROPN
iajs-774	86	204	,	,	PUNCT
iajs-774	86	205	r.	r.	PROPN
iajs-774	86	206	l.	l.	PROPN
iajs-774	86	207	;	;	PUNCT
iajs-774	86	208	morokuma	morokuma	PROPN
iajs-774	86	209	,	,	PUNCT
iajs-774	86	210	k.	k.	PROPN
iajs-774	86	211	;	;	PUNCT
iajs-774	86	212	zakrzewski	zakrzewski	PROPN
iajs-774	86	213	,	,	PUNCT
iajs-774	86	214	v.	v.	PROPN
iajs-774	86	215	g.	g.	PROPN
iajs-774	86	216	;	;	PUNCT
iajs-774	86	217	voth	voth	PROPN
iajs-774	86	218	,	,	PUNCT
iajs-774	86	219	g.	g.	PROPN
iajs-774	86	220	a.	a.	PROPN
iajs-774	86	221	;	;	PUNCT
iajs-774	86	222	salvador	salvador	PROPN
iajs-774	86	223	,	,	PUNCT
iajs-774	86	224	p.	p.	PROPN
iajs-774	86	225	;	;	PUNCT
iajs-774	86	226	dannenberg	dannenberg	PROPN
iajs-774	86	227	,	,	PUNCT
iajs-774	86	228	j.	j.	PROPN
iajs-774	86	229	j.	j.	PROPN
iajs-774	86	230	;	;	PUNCT
iajs-774	86	231	dapprich	dapprich	PROPN
iajs-774	86	232	,	,	PUNCT
iajs-774	86	233	s.	s.	PROPN
iajs-774	86	234	;	;	PUNCT
iajs-774	86	235	daniels	daniels	PROPN
iajs-774	86	236	,	,	PUNCT
iajs-774	86	237	a.	a.	PROPN
iajs-774	86	238	d.	d.	PROPN
iajs-774	86	239	;	;	PUNCT
iajs-774	86	240	farkas	farkas	PROPN
iajs-774	86	241	,	,	PUNCT
iajs-774	86	242	o.	o.	PROPN
iajs-774	86	243	;	;	PUNCT
iajs-774	86	244	foresman	foresman	PROPN
iajs-774	86	245	,	,	PUNCT
iajs-774	86	246	j.	j.	PROPN
iajs-774	86	247	b.	b.	PROPN
iajs-774	86	248	;	;	PUNCT
iajs-774	86	249	ortiz	ortiz	PROPN
iajs-774	86	250	,	,	PUNCT
iajs-774	86	251	j.	j.	PROPN
iajs-774	86	252	v.	v.	PROPN
iajs-774	86	253	;	;	PUNCT
iajs-774	86	254	cioslowski	cioslowski	PROPN
iajs-774	86	255	,	,	PUNCT
iajs-774	86	256	j.	j.	PROPN
iajs-774	86	257	;	;	PUNCT
iajs-774	86	258	and	and	CCONJ
iajs-774	86	259	fox	fox	PROPN
iajs-774	86	260	,	,	PUNCT
iajs-774	86	261	d.	d.	PROPN
iajs-774	86	262	j.	j.	PROPN
iajs-774	86	263	;	;	PUNCT
iajs-774	86	264	gaussian	gaussian	PROPN
iajs-774	86	265	,	,	PUNCT
iajs-774	86	266	inc	inc	PROPN
iajs-774	86	267	.	.	PROPN
iajs-774	86	268	,	,	PUNCT
iajs-774	86	269	wallingford	wallingford	PROPN
iajs-774	86	270	ct	ct	PROPN
iajs-774	86	271	,	,	PUNCT
iajs-774	86	272	2009	2009	NUM
iajs-774	86	273	.	.	PUNCT
iajs-774	87	1	11.zhou	11.zhou	NUM
iajs-774	87	2	,	,	PUNCT
iajs-774	87	3	x.	x.	NOUN
iajs-774	87	4	and	and	CCONJ
iajs-774	87	5	allinger	allinger	NOUN
iajs-774	87	6	,	,	PUNCT
iajs-774	87	7	n.	n.	PROPN
iajs-774	87	8	l.	l.	PROPN
iajs-774	87	9	,	,	PUNCT
iajs-774	87	10	(	(	PUNCT
iajs-774	87	11	1994	1994	NUM
iajs-774	87	12	)	)	PUNCT
iajs-774	88	1	,	,	PUNCT
iajs-774	88	2	“	"	PUNCT
iajs-774	88	3	molecular	molecular	ADJ
iajs-774	88	4	mechanics	mechanic	NOUN
iajs-774	88	5	calculations	calculation	NOUN
iajs-774	88	6	(	(	PUNCT
iajs-774	88	7	mm	mm	NOUN
iajs-774	88	8	3	3	NUM
iajs-774	88	9	)	)	PUNCT
iajs-774	88	10	on	on	ADP
iajs-774	88	11	alkyl	alkyl	ADJ
iajs-774	88	12	iodides	iodide	NOUN
iajs-774	88	13	”	"	PUNCT
iajs-774	88	14	,	,	PUNCT
iajs-774	88	15	j.	j.	PROPN
iajs-774	88	16	phys	phys	PROPN
iajs-774	88	17	.	.	PUNCT
iajs-774	89	1	org	org	PROPN
iajs-774	89	2	.	.	PUNCT
iajs-774	89	3	chem	chem	PROPN
iajs-774	89	4	.	.	PUNCT
iajs-774	89	5	,	,	PUNCT
iajs-774	89	6	7	7	NUM
iajs-774	89	7	,	,	PUNCT
iajs-774	89	8	420	420	NUM
iajs-774	89	9	-	-	SYM
iajs-774	89	10	430	430	NUM
iajs-774	89	11	.	.	PUNCT
iajs-774	90	1	12.sverdlov	12.sverdlov	NUM
iajs-774	90	2	,	,	PUNCT
iajs-774	90	3	l.m	l.m	PROPN
iajs-774	90	4	.	.	PROPN
iajs-774	90	5	;	;	PUNCT
iajs-774	90	6	kovner	kovner	NOUN
iajs-774	90	7	,	,	PUNCT
iajs-774	90	8	m.a	m.a	PROPN
iajs-774	90	9	and	and	CCONJ
iajs-774	90	10	krainov	krainov	PROPN
iajs-774	90	11	,	,	PUNCT
iajs-774	90	12	e.p	e.p	PROPN
iajs-774	90	13	.	.	PROPN
iajs-774	90	14	(	(	PUNCT
iajs-774	90	15	1974	1974	NUM
iajs-774	90	16	)	)	PUNCT
iajs-774	90	17	“	"	PUNCT
iajs-774	90	18	vibrational	vibrational	ADJ
iajs-774	90	19	spectra	spectra	NOUN
iajs-774	90	20	of	of	ADP
iajs-774	90	21	polyatomic	polyatomic	ADJ
iajs-774	90	22	molecules	molecule	NOUN
iajs-774	90	23	”	"	PUNCT
iajs-774	90	24	,	,	PUNCT
iajs-774	90	25	john	john	PROPN
iajs-774	90	26	wiley	wiley	PROPN
iajs-774	90	27	&	&	CCONJ
iajs-774	90	28	sons	son	NOUN
iajs-774	90	29	,	,	PUNCT
iajs-774	90	30	new	new	PROPN
iajs-774	90	31	york	york	PROPN
iajs-774	90	32	and	and	CCONJ
iajs-774	90	33	toronto	toronto	PROPN
iajs-774	90	34	.	.	PUNCT
iajs-774	91	1	13.shimanouchi	13.shimanouchi	PROPN
iajs-774	91	2	,	,	PUNCT
iajs-774	91	3	t.	t.	PROPN
iajs-774	91	4	,	,	PUNCT
iajs-774	91	5	(	(	PUNCT
iajs-774	91	6	1974	1974	NUM
iajs-774	91	7	)	)	PUNCT
iajs-774	91	8	,	,	PUNCT
iajs-774	91	9	“	"	PUNCT
iajs-774	91	10	tables	table	NOUN
iajs-774	91	11	of	of	ADP
iajs-774	91	12	molecular	molecular	ADJ
iajs-774	91	13	vibrational	vibrational	ADJ
iajs-774	91	14	frequencies	frequency	NOUN
iajs-774	91	15	.	.	PUNCT
iajs-774	92	1	part	part	NOUN
iajs-774	92	2	8	8	NUM
iajs-774	92	3	”	"	PUNCT
iajs-774	92	4	,	,	PUNCT
iajs-774	92	5	j.	j.	PROPN
iajs-774	92	6	phys	phys	PROPN
iajs-774	92	7	.	.	PUNCT
iajs-774	93	1	chem	chem	PROPN
iajs-774	93	2	.	.	PUNCT
iajs-774	94	1	ref	ref	NOUN
iajs-774	94	2	.	.	PUNCT
iajs-774	95	1	data	data	PROPN
iajs-774	95	2	.	.	PUNCT
iajs-774	95	3	,	,	PUNCT
iajs-774	95	4	3	3	NUM
iajs-774	95	5	,	,	PUNCT
iajs-774	95	6	269	269	NUM
iajs-774	95	7	-	-	SYM
iajs-774	95	8	308	308	NUM
iajs-774	95	9	.	.	PUNCT
iajs-774	96	1	14.shimanouchi	14.shimanouchi	NUM
iajs-774	96	2	,	,	PUNCT
iajs-774	96	3	t.	t.	PROPN
iajs-774	96	4	,	,	PUNCT
iajs-774	96	5	(	(	PUNCT
iajs-774	96	6	1973	1973	NUM
iajs-774	96	7	)	)	PUNCT
iajs-774	96	8	,	,	PUNCT
iajs-774	96	9	“	"	PUNCT
iajs-774	96	10	tables	table	NOUN
iajs-774	96	11	of	of	ADP
iajs-774	96	12	molecular	molecular	ADJ
iajs-774	96	13	vibrational	vibrational	ADJ
iajs-774	96	14	frequencies	frequency	NOUN
iajs-774	96	15	:	:	PUNCT
iajs-774	96	16	part	part	NOUN
iajs-774	96	17	6	6	NUM
iajs-774	96	18	”	"	PUNCT
iajs-774	96	19	“	"	PUNCT
iajs-774	96	20	,	,	PUNCT
iajs-774	96	21	j.	j.	PROPN
iajs-774	96	22	phys	phys	PROPN
iajs-774	96	23	.	.	PUNCT
iajs-774	97	1	chem	chem	PROPN
iajs-774	97	2	.	.	PUNCT
iajs-774	98	1	ref	ref	NOUN
iajs-774	98	2	.	.	PUNCT
iajs-774	99	1	data	data	PROPN
iajs-774	99	2	.	.	PUNCT
iajs-774	99	3	,	,	PUNCT
iajs-774	99	4	2	2	NUM
iajs-774	99	5	,	,	PUNCT
iajs-774	99	6	121	121	NUM
iajs-774	99	7	-	-	SYM
iajs-774	99	8	162	162	NUM
iajs-774	99	9	.	.	PUNCT
iajs-774	100	1	15.tsuchiya	15.tsuchiya	NUM
iajs-774	100	2	,	,	PUNCT
iajs-774	100	3	s.	s.	PROPN
iajs-774	100	4	,	,	PUNCT
iajs-774	100	5	(	(	PUNCT
iajs-774	100	6	1974	1974	NUM
iajs-774	100	7	)	)	PUNCT
iajs-774	100	8	,	,	PUNCT
iajs-774	100	9	“	"	PUNCT
iajs-774	100	10	molecular	molecular	ADJ
iajs-774	100	11	structures	structure	NOUN
iajs-774	100	12	of	of	ADP
iajs-774	100	13	acety	acety	NOUN
iajs-774	100	14	l	l	NOUN
iajs-774	100	15	fluoride	fluoride	NOUN
iajs-774	100	16	and	and	CCONJ
iajs-774	100	17	acety	acety	NOUN
iajs-774	100	18	l	l	PROPN
iajs-774	100	19	iodide	iodide	NOUN
iajs-774	100	20	”	"	PUNCT
iajs-774	100	21	,	,	PUNCT
iajs-774	100	22	j.	j.	PROPN
iajs-774	100	23	mol	mol	PROPN
iajs-774	100	24	.	.	PROPN
iajs-774	100	25	struct	struct	NOUN
iajs-774	100	26	.	.	PUNCT
iajs-774	100	27	,	,	PUNCT
iajs-774	100	28	22	22	NUM
iajs-774	100	29	,	,	PUNCT
iajs-774	100	30	77	77	NUM
iajs-774	100	31	-	-	SYM
iajs-774	100	32	95	95	NUM
iajs-774	100	33	.	.	PUNCT
iajs-774	101	1	16.tanabe	16.tanabe	NUM
iajs-774	101	2	,	,	PUNCT
iajs-774	101	3	k.	k.	PROPN
iajs-774	101	4	,	,	PUNCT
iajs-774	101	5	(	(	PUNCT
iajs-774	101	6	1974	1974	NUM
iajs-774	101	7	)	)	PUNCT
iajs-774	101	8	,	,	PUNCT
iajs-774	101	9	“	"	PUNCT
iajs-774	101	10	vibrational	vibrational	ADJ
iajs-774	101	11	frequencies	frequency	NOUN
iajs-774	101	12	,	,	PUNCT
iajs-774	101	13	infrared	infrare	VERB
iajs-774	101	14	absorption	absorption	NOUN
iajs-774	101	15	intensities	intensity	NOUN
iajs-774	101	16	and	and	CCONJ
iajs-774	101	17	energy	energy	NOUN
iajs-774	101	18	difference	difference	NOUN
iajs-774	101	19	of	of	ADP
iajs-774	101	20	rotational	rotational	ADJ
iajs-774	101	21	isomers	isomer	NOUN
iajs-774	101	22	of	of	ADP
iajs-774	101	23	1,2	1,2	NUM
iajs-774	101	24	-	-	PUNCT
iajs-774	101	25	diiodoethane	diiodoethane	NOUN
iajs-774	101	26	”	"	PUNCT
iajs-774	101	27	,	,	PUNCT
iajs-774	101	28	spectrochim	spectrochim	PROPN
iajs-774	101	29	.	.	PUNCT
iajs-774	102	1	acta	acta	PROPN
iajs-774	102	2	.	.	PROPN
iajs-774	102	3	,	,	PUNCT
iajs-774	102	4	30a	30a	NUM
iajs-774	102	5	,	,	PUNCT
iajs-774	102	6	19011914	19011914	NUM
iajs-774	102	7	.	.	PUNCT
iajs-774	103	1	17.shimanouchi	17.shimanouchi	NUM
iajs-774	103	2	,	,	PUNCT
iajs-774	103	3	t.	t.	PROPN
iajs-774	103	4	,	,	PUNCT
iajs-774	103	5	(	(	PUNCT
iajs-774	103	6	1980	1980	NUM
iajs-774	103	7	)	)	PUNCT
iajs-774	103	8	,	,	PUNCT
iajs-774	103	9	“	"	PUNCT
iajs-774	103	10	tables	table	NOUN
iajs-774	103	11	of	of	ADP
iajs-774	103	12	molecular	molecular	ADJ
iajs-774	103	13	vibrational	vibrational	ADJ
iajs-774	103	14	frequencies	frequency	NOUN
iajs-774	103	15	part	part	NOUN
iajs-774	103	16	10	10	NUM
iajs-774	103	17	”	"	PUNCT
iajs-774	103	18	,	,	PUNCT
iajs-774	103	19	j.	j.	PROPN
iajs-774	103	20	phys	phys	PROPN
iajs-774	103	21	.	.	PUNCT
iajs-774	104	1	chem	chem	PROPN
iajs-774	104	2	.	.	PUNCT
iajs-774	105	1	ref	ref	NOUN
iajs-774	105	2	.	.	PUNCT
iajs-774	106	1	data	data	PROPN
iajs-774	106	2	.	.	PUNCT
iajs-774	106	3	,	,	PUNCT
iajs-774	106	4	9	9	NUM
iajs-774	106	5	,	,	PUNCT
iajs-774	106	6	1149	1149	NUM
iajs-774	106	7	-	-	SYM
iajs-774	106	8	1254	1254	NUM
iajs-774	106	9	.	.	PUNCT
iajs-774	107	1	18.rogstad	18.rogstad	NUM
iajs-774	107	2	,	,	PUNCT
iajs-774	107	3	a.	a.	NOUN
iajs-774	107	4	and	and	CCONJ
iajs-774	107	5	cyvin	cyvin	PROPN
iajs-774	107	6	,	,	PUNCT
iajs-774	107	7	s.	s.	PROPN
iajs-774	107	8	j.	j.	PROPN
iajs-774	107	9	,	,	PUNCT
iajs-774	107	10	(	(	PUNCT
iajs-774	107	11	1974	1974	NUM
iajs-774	107	12	)	)	PUNCT
iajs-774	107	13	,	,	PUNCT
iajs-774	107	14	“	"	PUNCT
iajs-774	107	15	vibrational	vibrational	ADJ
iajs-774	107	16	frequencies	frequency	NOUN
iajs-774	107	17	,	,	PUNCT
iajs-774	107	18	force	force	NOUN
iajs-774	107	19	constants	constant	NOUN
iajs-774	107	20	,	,	PUNCT
iajs-774	107	21	mean	mean	ADJ
iajs-774	107	22	amplitudes	amplitude	NOUN
iajs-774	107	23	,	,	PUNCT
iajs-774	107	24	shrinkage	shrinkage	NOUN
iajs-774	107	25	effects	effect	NOUN
iajs-774	107	26	and	and	CCONJ
iajs-774	107	27	thermodynamic	thermodynamic	ADJ
iajs-774	107	28	functions	function	NOUN
iajs-774	107	29	for	for	ADP
iajs-774	107	30	monohaloacetylenes	monohaloacetylene	NOUN
iajs-774	107	31	”	"	PUNCT
iajs-774	107	32	,	,	PUNCT
iajs-774	107	33	j.	j.	PROPN
iajs-774	107	34	mol	mol	PROPN
iajs-774	107	35	.	.	PROPN
iajs-774	107	36	struct	struct	NOUN
iajs-774	107	37	.	.	PUNCT
iajs-774	107	38	,	,	PUNCT
iajs-774	107	39	20	20	NUM
iajs-774	107	40	,	,	PUNCT
iajs-774	107	41	373	373	NUM
iajs-774	107	42	-	-	SYM
iajs-774	107	43	379	379	NUM
iajs-774	107	44	.	.	PUNCT
iajs-774	108	1	19.flourie	19.flourie	NUM
iajs-774	108	2	,	,	PUNCT
iajs-774	108	3	e.	e.	PROPN
iajs-774	108	4	j.	j.	PROPN
iajs-774	108	5	and	and	CCONJ
iajs-774	108	6	jones	jones	PROPN
iajs-774	108	7	,	,	PUNCT
iajs-774	108	8	w.	w.	PROPN
iajs-774	108	9	d.	d.	PROPN
iajs-774	108	10	,	,	PUNCT
iajs-774	108	11	(	(	PUNCT
iajs-774	108	12	1969	1969	NUM
iajs-774	108	13	)	)	PUNCT
iajs-774	108	14	,	,	PUNCT
iajs-774	108	15	“	"	PUNCT
iajs-774	108	16	the	the	DET
iajs-774	108	17	vibrational	vibrational	ADJ
iajs-774	108	18	spectra	spectra	NOUN
iajs-774	108	19	and	and	CCONJ
iajs-774	108	20	assignments	assignment	NOUN
iajs-774	108	21	of	of	ADP
iajs-774	108	22	tetraiodoethylene	tetraiodoethylene	NOUN
iajs-774	108	23	”	"	PUNCT
iajs-774	108	24	,	,	PUNCT
iajs-774	108	25	spectrochim	spectrochim	PROPN
iajs-774	108	26	.	.	PUNCT
iajs-774	109	1	acta	acta	PROPN
iajs-774	109	2	.	.	PROPN
iajs-774	109	3	,	,	PUNCT
iajs-774	109	4	25a	25a	NUM
iajs-774	109	5	,	,	PUNCT
iajs-774	109	6	653	653	NUM
iajs-774	109	7	-	-	SYM
iajs-774	109	8	659	659	NUM
iajs-774	109	9	.	.	PUNCT
iajs-774	110	1	20.whitmer	20.whitmer	NUM
iajs-774	110	2	,	,	PUNCT
iajs-774	110	3	j.	j.	PROPN
iajs-774	110	4	c.	c.	PROPN
iajs-774	110	5	,	,	PUNCT
iajs-774	110	6	(	(	PUNCT
iajs-774	110	7	1974	1974	NUM
iajs-774	110	8	)	)	PUNCT
iajs-774	110	9	,	,	PUNCT
iajs-774	110	10	“	"	PUNCT
iajs-774	110	11	normal	normal	ADJ
iajs-774	110	12	coordinates	coordinate	NOUN
iajs-774	110	13	and	and	CCONJ
iajs-774	110	14	potential	potential	ADJ
iajs-774	110	15	energy	energy	NOUN
iajs-774	110	16	distributions	distribution	NOUN
iajs-774	110	17	of	of	ADP
iajs-774	110	18	methyl	methyl	NOUN
iajs-774	110	19	acety	acety	PROPN
iajs-774	110	20	lene	lene	PROPN
iajs-774	110	21	and	and	CCONJ
iajs-774	110	22	some	some	DET
iajs-774	110	23	halogen	halogen	NOUN
iajs-774	110	24	substituted	substitute	VERB
iajs-774	110	25	analogues	analogue	NOUN
iajs-774	110	26	”	"	PUNCT
iajs-774	110	27	,	,	PUNCT
iajs-774	110	28	j.	j.	PROPN
iajs-774	110	29	mol	mol	PROPN
iajs-774	110	30	.	.	PROPN
iajs-774	110	31	struct	struct	NOUN
iajs-774	110	32	.	.	PUNCT
iajs-774	110	33	,	,	PUNCT
iajs-774	110	34	21	21	NUM
iajs-774	110	35	,	,	PUNCT
iajs-774	110	36	173	173	NUM
iajs-774	110	37	-	-	SYM
iajs-774	110	38	183	183	NUM
iajs-774	110	39	.	.	PUNCT
iajs-774	111	1	21.jorgensem	21.jorgensem	NUM
iajs-774	111	2	,	,	PUNCT
iajs-774	111	3	w.	w.	PROPN
iajs-774	111	4	l.	l.	PROPN
iajs-774	111	5	and	and	CCONJ
iajs-774	111	6	salem	salem	PROPN
iajs-774	111	7	,	,	PUNCT
iajs-774	111	8	l.	l.	PROPN
iajs-774	111	9	(	(	PUNCT
iajs-774	111	10	1973	1973	NUM
iajs-774	111	11	)	)	PUNCT
iajs-774	111	12	,	,	PUNCT
iajs-774	111	13	“	"	PUNCT
iajs-774	111	14	the	the	DET
iajs-774	111	15	organic	organic	ADJ
iajs-774	111	16	chemist	chemist	NOUN
iajs-774	111	17	’s	’s	PART
iajs-774	111	18	book	book	NOUN
iajs-774	111	19	of	of	ADP
iajs-774	111	20	orbitals	orbital	NOUN
iajs-774	111	21	”	"	PUNCT
iajs-774	111	22	,	,	PUNCT
iajs-774	111	23	acadimic	acadimic	ADJ
iajs-774	111	24	press	press	PROPN
iajs-774	111	25	,	,	PUNCT
iajs-774	111	26	new	new	PROPN
iajs-774	111	27	york	york	PROPN
iajs-774	111	28	.	.	PUNCT
iajs-774	112	1	22.durig	22.durig	NUM
iajs-774	112	2	,	,	PUNCT
iajs-774	112	3	r.	r.	PROPN
iajs-774	112	4	(	(	PUNCT
iajs-774	112	5	1978	1978	NUM
iajs-774	112	6	)	)	PUNCT
iajs-774	112	7	,	,	PUNCT
iajs-774	112	8	“	"	PUNCT
iajs-774	112	9	vibrational	vibrational	ADJ
iajs-774	112	10	spectra	spectra	NOUN
iajs-774	112	11	and	and	CCONJ
iajs-774	112	12	structure	structure	NOUN
iajs-774	112	13	”	"	PUNCT
iajs-774	112	14	,	,	PUNCT
iajs-774	112	15	vol.7	vol.7	PROPN
iajs-774	112	16	,	,	PUNCT
iajs-774	112	17	elseveir	elseveir	PRON
iajs-774	112	18	scientific	scientific	ADJ
iajs-774	112	19	publish	publish	VERB
iajs-774	112	20	ing	ing	ADJ
iajs-774	112	21	company	company	NOUN
iajs-774	112	22	,	,	PUNCT
iajs-774	112	23	amsterdam	amsterdam	PROPN
iajs-774	112	24	.	.	PUNCT
iajs-774	113	1	23.klaboe	23.klaboe	PROPN
iajs-774	113	2	,	,	PUNCT
iajs-774	113	3	p.	p.	NOUN
iajs-774	113	4	and	and	CCONJ
iajs-774	113	5	jenesn	jenesn	PROPN
iajs-774	113	6	,	,	PUNCT
iajs-774	113	7	e.	e.	PROPN
iajs-774	113	8	k.	k.	PROPN
iajs-774	113	9	,	,	PUNCT
iajs-774	113	10	(	(	PUNCT
iajs-774	113	11	1967	1967	NUM
iajs-774	113	12	)	)	PUNCT
iajs-774	113	13	,	,	PUNCT
iajs-774	113	14	“	"	PUNCT
iajs-774	113	15	raman	raman	ADJ
iajs-774	113	16	spectra	spectra	NOUN
iajs-774	113	17	and	and	CCONJ
iajs-774	113	18	revised	revise	VERB
iajs-774	113	19	vibrational	vibrational	ADJ
iajs-774	113	20	assignments	assignment	NOUN
iajs-774	113	21	of	of	ADP
iajs-774	113	22	some	some	DET
iajs-774	113	23	halogeno	halogeno	NOUN
iajs-774	113	24	cyanoacetylenes”,spectrochim	cyanoacetylenes”,spectrochim	PROPN
iajs-774	113	25	.	.	PUNCT
iajs-774	114	1	acta	acta	PROPN
iajs-774	114	2	.	.	PROPN
iajs-774	114	3	,	,	PUNCT
iajs-774	114	4	23a	23a	NUM
iajs-774	114	5	,	,	PUNCT
iajs-774	114	6	1981	1981	NUM
iajs-774	114	7	-	-	SYM
iajs-774	114	8	1990	1990	NUM
iajs-774	114	9	.	.	PUNCT
iajs-774	115	1	24.durig	24.durig	NOUN
iajs-774	115	2	,	,	PUNCT
iajs-774	115	3	r.	r.	PROPN
iajs-774	115	4	;	;	PUNCT
iajs-774	115	5	thompson	thompson	PROPN
iajs-774	115	6	,	,	PUNCT
iajs-774	115	7	j.	j.	PROPN
iajs-774	115	8	w.	w.	PROPN
iajs-774	115	9	;	;	PUNCT
iajs-774	115	10	thyagsean	thyagsean	ADJ
iajs-774	115	11	,	,	PUNCT
iajs-774	115	12	u.	u.	PROPN
iajs-774	115	13	w.	w.	PROPN
iajs-774	115	14	and	and	CCONJ
iajs-774	115	15	witt	witt	PROPN
iajs-774	115	16	,	,	PUNCT
iajs-774	115	17	j.	j.	PROPN
iajs-774	115	18	d.	d.	PROPN
iajs-774	115	19	,	,	PUNCT
iajs-774	115	20	(	(	PUNCT
iajs-774	115	21	1975	1975	NUM
iajs-774	115	22	)	)	PUNCT
iajs-774	115	23	,	,	PUNCT
iajs-774	115	24	“	"	PUNCT
iajs-774	115	25	vibrational	vibrational	ADJ
iajs-774	115	26	spectra	spectra	NOUN
iajs-774	115	27	of	of	ADP
iajs-774	115	28	ethyl	ethyl	PROPN
iajs-774	115	29	iodedes	iodedes	PROPN
iajs-774	115	30	”	"	PUNCT
iajs-774	115	31	,	,	PUNCT
iajs-774	115	32	j.	j.	PROPN
iajs-774	115	33	mol	mol	PROPN
iajs-774	115	34	.	.	PROPN
iajs-774	115	35	struct	struct	NOUN
iajs-774	115	36	.	.	PUNCT
iajs-774	115	37	,	,	PUNCT
iajs-774	115	38	24	24	NUM
iajs-774	115	39	,	,	PUNCT
iajs-774	115	40	41	41	NUM
iajs-774	115	41	-	-	SYM
iajs-774	115	42	58	58	NUM
iajs-774	115	43	.	.	PUNCT
iajs-774	116	1	25.rogstad	25.rogstad	NUM
iajs-774	116	2	,	,	PUNCT
iajs-774	116	3	a.	a.	NOUN
iajs-774	116	4	;	;	PUNCT
iajs-774	116	5	benestad	benestad	PROPN
iajs-774	116	6	,	,	PUNCT
iajs-774	116	7	l.	l.	PROPN
iajs-774	116	8	and	and	CCONJ
iajs-774	116	9	cyvin	cyvin	PROPN
iajs-774	116	10	,	,	PUNCT
iajs-774	116	11	s.	s.	PROPN
iajs-774	116	12	j.	j.	PROPN
iajs-774	116	13	,	,	PUNCT
iajs-774	116	14	(	(	PUNCT
iajs-774	116	15	1974	1974	NUM
iajs-774	116	16	)	)	PUNCT
iajs-774	116	17	,	,	PUNCT
iajs-774	116	18	“	"	PUNCT
iajs-774	116	19	vibrational	vibrational	ADJ
iajs-774	116	20	frequencies	frequency	NOUN
iajs-774	116	21	,	,	PUNCT
iajs-774	116	22	force	force	NOUN
iajs-774	116	23	constants	constant	NOUN
iajs-774	116	24	,	,	PUNCT
iajs-774	116	25	coriolis	coriolis	PROPN
iajs-774	116	26	constants	constant	NOUN
iajs-774	116	27	,	,	PUNCT
iajs-774	116	28	mean	mean	ADJ
iajs-774	116	29	amplitudes	amplitude	NOUN
iajs-774	116	30	and	and	CCONJ
iajs-774	116	31	shrinkage	shrinkage	VERB
iajs-774	116	32	effects	effect	NOUN
iajs-774	116	33	for	for	ADP
iajs-774	116	34	ch3cc	ch3cc	NOUN
iajs-774	116	35	-	-	PUNCT
iajs-774	116	36	ccx	ccx	NOUN
iajs-774	116	37	(	(	PUNCT
iajs-774	116	38	x	x	SYM
iajs-774	116	39	=	=	SYM
iajs-774	116	40	h	h	NOUN
iajs-774	116	41	,	,	PUNCT
iajs-774	116	42	cl	cl	NOUN
iajs-774	116	43	,	,	PUNCT
iajs-774	116	44	br	br	PROPN
iajs-774	116	45	or	or	CCONJ
iajs-774	116	46	i	i	NOUN
iajs-774	116	47	)	)	PUNCT
iajs-774	116	48	”	"	PUNCT
iajs-774	116	49	,	,	PUNCT
iajs-774	116	50	j.	j.	PROPN
iajs-774	116	51	mol	mol	PROPN
iajs-774	116	52	.	.	PROPN
iajs-774	116	53	struct	struct	NOUN
iajs-774	116	54	.	.	PUNCT
iajs-774	116	55	,	,	PUNCT
iajs-774	116	56	23	23	NUM
iajs-774	116	57	,	,	PUNCT
iajs-774	116	58	265	265	NUM
iajs-774	116	59	-	-	SYM
iajs-774	116	60	272	272	NUM
iajs-774	116	61	.	.	PUNCT
iajs-774	117	1	26.faerman	26.faerman	NUM
iajs-774	117	2	and	and	CCONJ
iajs-774	117	3	bonadeo	bonadeo	ADJ
iajs-774	117	4	,	,	PUNCT
iajs-774	117	5	h.	h.	PROPN
iajs-774	117	6	,	,	PUNCT
iajs-774	117	7	(	(	PUNCT
iajs-774	117	8	1980	1980	NUM
iajs-774	117	9	)	)	PUNCT
iajs-774	117	10	,	,	PUNCT
iajs-774	117	11	“	"	PUNCT
iajs-774	117	12	vibrational	vibrational	ADJ
iajs-774	117	13	spectra	spectra	NOUN
iajs-774	117	14	,	,	PUNCT
iajs-774	117	15	packing	pack	VERB
iajs-774	117	16	calculations	calculation	NOUN
iajs-774	117	17	and	and	CCONJ
iajs-774	117	18	crystal	crystal	NOUN
iajs-774	117	19	structure	structure	NOUN
iajs-774	117	20	of	of	ADP
iajs-774	117	21	1,2	1,2	NUM
iajs-774	117	22	-	-	PUNCT
iajs-774	117	23	diiodobenzene	diiodobenzene	NOUN
iajs-774	117	24	”	"	PUNCT
iajs-774	117	25	,	,	PUNCT
iajs-774	117	26	chem	chem	NOUN
iajs-774	117	27	.	.	PUNCT
iajs-774	118	1	phys	phy	NOUN
iajs-774	118	2	.	.	PUNCT
iajs-774	119	1	let	let	VERB
iajs-774	119	2	.	.	PUNCT
iajs-774	120	1	69	69	NUM
iajs-774	120	2	,	,	PUNCT
iajs-774	120	3	91	91	NUM
iajs-774	120	4	-	-	SYM
iajs-774	120	5	96	96	NUM
iajs-774	120	6	.	.	PUNCT
iajs-774	121	1	ibn	ibn	PROPN
iajs-774	121	2	alhaitham	alhaitham	PROPN
iajs-774	121	3	j.	j.	PROPN
iajs-774	121	4	for	for	ADP
iajs-774	121	5	pure	pure	ADJ
iajs-774	121	6	&	&	CCONJ
iajs-774	121	7	appl	appl	PROPN
iajs-774	121	8	.	.	PUNCT
iajs-774	122	1	sci	sci	PROPN
iajs-774	122	2	.	.	PUNCT
iajs-774	122	3	vol.24	vol.24	NOUN
iajs-774	122	4	(	(	PUNCT
iajs-774	122	5	2	2	NUM
iajs-774	122	6	)	)	PUNCT
iajs-774	122	7	2011	2011	NUM
iajs-774	122	8	27.woldbeak	27.woldbeak	NUM
iajs-774	122	9	,	,	PUNCT
iajs-774	122	10	t.	t.	NOUN
iajs-774	122	11	and	and	CCONJ
iajs-774	122	12	klaebe	klaebe	PROPN
iajs-774	122	13	,	,	PUNCT
iajs-774	122	14	p.	p.	PROPN
iajs-774	122	15	,	,	PUNCT
iajs-774	122	16	(	(	PUNCT
iajs-774	122	17	1980	1980	NUM
iajs-774	122	18	)	)	PUNCT
iajs-774	122	19	,	,	PUNCT
iajs-774	122	20	“	"	PUNCT
iajs-774	122	21	the	the	DET
iajs-774	122	22	conformation	conformation	NOUN
iajs-774	122	23	and	and	CCONJ
iajs-774	122	24	vibrational	vibrational	ADJ
iajs-774	122	25	spectra	spectra	NOUN
iajs-774	122	26	of	of	ADP
iajs-774	122	27	trans1,4	trans1,4	PROPN
iajs-774	122	28	-	-	PUNCT
iajs-774	122	29	dihalocyclohexanes	dihalocyclohexane	NOUN
iajs-774	122	30	:	:	PUNCT
iajs-774	122	31	part	part	NOUN
iajs-774	122	32	iii	iii	PROPN
iajs-774	122	33	.	.	PUNCT
iajs-774	123	1	trans-1,4	trans-1,4	NUM
iajs-774	123	2	-	-	PUNCT
iajs-774	123	3	diiodo-	diiodo-	NOUN
iajs-774	123	4	,	,	PUNCT
iajs-774	123	5	trans-1,4	trans-1,4	NUM
iajs-774	123	6	-	-	PUNCT
iajs-774	123	7	bromoiodoand	bromoiodoand	NOUN
iajs-774	123	8	trans-1,4dibromocyclohexane	trans-1,4dibromocyclohexane	NOUN
iajs-774	123	9	”	"	PUNCT
iajs-774	123	10	,	,	PUNCT
iajs-774	123	11	j.	j.	PROPN
iajs-774	123	12	m	m	PROPN
iajs-774	123	13	ol	ol	PROPN
iajs-774	123	14	.	.	PROPN
iajs-774	123	15	struct	struct	NOUN
iajs-774	123	16	.	.	PUNCT
iajs-774	123	17	,	,	PUNCT
iajs-774	123	18	63	63	NUM
iajs-774	123	19	,	,	PUNCT
iajs-774	123	20	195	195	NUM
iajs-774	123	21	-	-	SYM
iajs-774	123	22	219	219	NUM
iajs-774	123	23	.	.	PUNCT
iajs-774	124	1	28.klaeboe	28.klaeboe	NUM
iajs-774	124	2	,	,	PUNCT
iajs-774	124	3	p.	p.	NOUN
iajs-774	124	4	;	;	PUNCT
iajs-774	124	5	nielsen	nielsen	PROPN
iajs-774	124	6	,	,	PUNCT
iajs-774	124	7	c.	c.	PROPN
iajs-774	124	8	j.	j.	PROPN
iajs-774	124	9	and	and	CCONJ
iajs-774	124	10	woldbaek	woldbaek	PROPN
iajs-774	124	11	,	,	PUNCT
iajs-774	124	12	t.	t.	PROPN
iajs-774	124	13	,	,	PUNCT
iajs-774	124	14	(	(	PUNCT
iajs-774	124	15	1981	1981	NUM
iajs-774	124	16	)	)	PUNCT
iajs-774	124	17	,	,	PUNCT
iajs-774	124	18	“	"	PUNCT
iajs-774	124	19	the	the	DET
iajs-774	124	20	vibrational	vibrational	ADJ
iajs-774	124	21	spectra	spectra	NOUN
iajs-774	124	22	and	and	CCONJ
iajs-774	124	23	conformation	conformation	NOUN
iajs-774	124	24	of	of	ADP
iajs-774	124	25	six	six	NUM
iajs-774	124	26	trans-1,4	trans-1,4	NUM
iajs-774	124	27	-	-	PUNCT
iajs-774	124	28	dihalocyclohexanes(cl	dihalocyclohexanes(cl	NOUN
iajs-774	124	29	,	,	PUNCT
iajs-774	124	30	br	br	PROPN
iajs-774	124	31	,	,	PUNCT
iajs-774	124	32	i	i	NOUN
iajs-774	124	33	)	)	PUNCT
iajs-774	124	34	”	"	PUNCT
iajs-774	124	35	j.	j.	PROPN
iajs-774	124	36	mol	mol	PROPN
iajs-774	124	37	.	.	PROPN
iajs-774	124	38	struct	struct	NOUN
iajs-774	124	39	.	.	PUNCT
iajs-774	124	40	,	,	PUNCT
iajs-774	124	41	60	60	NUM
iajs-774	124	42	,	,	PUNCT
iajs-774	124	43	121	121	NUM
iajs-774	124	44	-	-	SYM
iajs-774	124	45	126	126	NUM
iajs-774	124	46	.	.	PUNCT
iajs-774	125	1	ibn	ibn	PROPN
iajs-774	125	2	alhaitham	alhaitham	PROPN
iajs-774	125	3	j.	j.	PROPN
iajs-774	125	4	for	for	ADP
iajs-774	125	5	pure	pure	ADJ
iajs-774	125	6	&	&	CCONJ
iajs-774	125	7	appl	appl	PROPN
iajs-774	125	8	.	.	PUNCT
iajs-774	126	1	sci	sci	PROPN
iajs-774	126	2	.	.	PUNCT
iajs-774	126	3	vol.24	vol.24	NOUN
iajs-774	126	4	(	(	PUNCT
iajs-774	126	5	2	2	NUM
iajs-774	126	6	)	)	PUNCT
iajs-774	126	7	2011	2011	NUM
iajs-774	126	8	table	table	NOUN
iajs-774	126	9	(	(	PUNCT
iajs-774	126	10	1	1	NUM
iajs-774	126	11	):	):	PUNCT
iajs-774	126	12	comparison	comparison	NOUN
iajs-774	126	13	of	of	ADP
iajs-774	126	14	calculated	calculate	VERB
iajs-774	126	15	(	(	PUNCT
iajs-774	126	16	empirical	empirical	ADJ
iajs-774	126	17	,	,	PUNCT
iajs-774	126	18	am	be	AUX
iajs-774	126	19	1	1	NUM
iajs-774	126	20	)	)	PUNCT
iajs-774	126	21	zero	zero	NUM
iajs-774	126	22	-	-	PUNCT
iajs-774	126	23	point	point	NOUN
iajs-774	126	24	energy	energy	NOUN
iajs-774	126	25	with	with	ADP
iajs-774	126	26	experimental	experimental	ADJ
iajs-774	126	27	values	value	NOUN
iajs-774	126	28	.	.	PUNCT
iajs-774	127	1	formula	formula	VERB
iajs-774	127	2	molecular	molecular	ADJ
iajs-774	127	3	zpe	zpe	NOUN
iajs-774	127	4	(	(	PUNCT
iajs-774	127	5	kcal	kcal	PROPN
iajs-774	127	6	/	/	SYM
iajs-774	127	7	mol	mol	NOUN
iajs-774	127	8	)	)	PUNCT
iajs-774	127	9	dif	dif	X
iajs-774	127	10	(	(	PUNCT
iajs-774	127	11	kcal	kcal	PROPN
iajs-774	127	12	/	/	SYM
iajs-774	127	13	mol	mol	PROPN
iajs-774	127	14	)	)	PUNCT
iajs-774	127	15	a	a	DET
iajs-774	127	16	ref	ref	NOUN
iajs-774	127	17	exp	exp	NOUN
iajs-774	127	18	.	.	PUNCT
iajs-774	127	19	emp	emp	PROPN
iajs-774	127	20	.	.	PUNCT
iajs-774	128	1	am1b	am1b	ADJ
iajs-774	128	2	emp	emp	NOUN
iajs-774	128	3	.	.	PUNCT
iajs-774	129	1	am1	am1	PROPN
iajs-774	129	2	ch3i	ch3i	PROPN
iajs-774	129	3	methyliodide	methyliodide	PROPN
iajs-774	129	4	22.02	22.02	NUM
iajs-774	129	5	22.31	22.31	NUM
iajs-774	129	6	21.65	21.65	NUM
iajs-774	129	7	-0.29	-0.29	NOUN
iajs-774	129	8	0.37	0.37	NUM
iajs-774	130	1	[	[	X
iajs-774	130	2	11	11	NUM
iajs-774	130	3	]	]	PUNCT
iajs-774	130	4	chi3	chi3	NOUN
iajs-774	130	5	iodoform	iodoform	ADP
iajs-774	130	6	10.90	10.90	NUM
iajs-774	130	7	10.40	10.40	NUM
iajs-774	130	8	10.25	10.25	NUM
iajs-774	130	9	0.50	0.50	NUM
iajs-774	130	10	0.65	0.65	NUM
iajs-774	131	1	[	[	X
iajs-774	131	2	12	12	NUM
iajs-774	131	3	]	]	PUNCT
iajs-774	131	4	ccl3i	ccl3i	NOUN
iajs-774	131	5	trichloroiodomethane	trichloroiodomethane	NOUN
iajs-774	131	6	5.36	5.36	NUM
iajs-774	131	7	6.16	6.16	NUM
iajs-774	131	8	5.76	5.76	NUM
iajs-774	131	9	-0.80	-0.80	NOUN
iajs-774	131	10	-0.40	-0.40	NOUN
iajs-774	131	11	[	[	X
iajs-774	131	12	11	11	NUM
iajs-774	131	13	]	]	X
iajs-774	131	14	cf3i	cf3i	PROPN
iajs-774	131	15	triiodoflurooiodomethane	triiodoflurooiodomethane	NOUN
iajs-774	131	16	8.69	8.69	NUM
iajs-774	131	17	9.47	9.47	NUM
iajs-774	131	18	9.17	9.17	NUM
iajs-774	131	19	-0.78	-0.78	NUM
iajs-774	131	20	-0.48	-0.48	NOUN
iajs-774	131	21	[	[	X
iajs-774	131	22	13	13	NUM
iajs-774	131	23	]	]	PUNCT
iajs-774	131	24	ch2i2	ch2i2	PROPN
iajs-774	131	25	diiodomethan	diiodomethan	VERB
iajs-774	131	26	16.30	16.30	NUM
iajs-774	131	27	16.35	16.35	NUM
iajs-774	131	28	16.12	16.12	NUM
iajs-774	131	29	-0.05	-0.05	NUM
iajs-774	131	30	0.18	0.18	NUM
iajs-774	131	31	[	[	X
iajs-774	131	32	13	13	NUM
iajs-774	131	33	]	]	PUNCT
iajs-774	131	34	ci4	ci4	NOUN
iajs-774	131	35	carbontetraiodide	carbontetraiodide	NOUN
iajs-774	131	36	3.42	3.42	NUM
iajs-774	131	37	4.45	4.45	NUM
iajs-774	131	38	4.16	4.16	NUM
iajs-774	131	39	-1.03	-1.03	NUM
iajs-774	131	40	-0.74	-0.74	NOUN
iajs-774	131	41	[	[	X
iajs-774	131	42	11	11	NUM
iajs-774	131	43	]	]	PUNCT
iajs-774	131	44	icn	icn	PROPN
iajs-774	131	45	cyanogeniodide	cyanogeniodide	ADV
iajs-774	131	46	4.70	4.70	NUM
iajs-774	131	47	4.36	4.36	NUM
iajs-774	131	48	5.31	5.31	NUM
iajs-774	131	49	0.34	0.34	NUM
iajs-774	131	50	-0.61	-0.61	NOUN
iajs-774	131	51	[	[	X
iajs-774	131	52	14	14	NUM
iajs-774	131	53	]	]	PUNCT
iajs-774	131	54	c2bri	c2bri	NOUN
iajs-774	131	55	bromoiodoacetylene	bromoiodoacetylene	NOUN
iajs-774	131	56	5.75	5.75	NUM
iajs-774	131	57	5.94	5.94	NUM
iajs-774	131	58	6.48	6.48	NUM
iajs-774	131	59	-0.19	-0.19	NOUN
iajs-774	131	60	-0.73	-0.73	ADP
iajs-774	132	1	[	[	X
iajs-774	132	2	14	14	NUM
iajs-774	132	3	]	]	SYM
iajs-774	132	4	c2cli	c2cli	ADJ
iajs-774	132	5	chloroiodoacetylene	chloroiodoacetylene	NOUN
iajs-774	132	6	6.11	6.11	NUM
iajs-774	132	7	6.16	6.16	NUM
iajs-774	132	8	6.91	6.91	NUM
iajs-774	132	9	-0.05	-0.05	NUM
iajs-774	133	1	-0.80	-0.80	NOUN
iajs-774	134	1	[	[	X
iajs-774	134	2	14	14	NUM
iajs-774	134	3	]	]	PUNCT
iajs-774	134	4	c2h3oi	c2h3oi	NOUN
iajs-774	134	5	acetyliodide	acetyliodide	ADP
iajs-774	134	6	28.16	28.16	NUM
iajs-774	134	7	28.32	28.32	NUM
iajs-774	134	8	28.30	28.30	NUM
iajs-774	135	1	-0.16	-0.16	PRON
iajs-774	135	2	-0.14	-0.14	NOUN
iajs-774	136	1	[	[	X
iajs-774	136	2	13	13	NUM
iajs-774	136	3	]	]	PUNCT
iajs-774	136	4	c2h4i2	c2h4i2	ADJ
iajs-774	136	5	1,2	1,2	NUM
iajs-774	136	6	-	-	NUM
iajs-774	136	7	diiodoethane	diiodoethane	NOUN
iajs-774	136	8	33.60	33.60	NUM
iajs-774	136	9	33.60	33.60	NUM
iajs-774	136	10	33.39	33.39	NUM
iajs-774	136	11	0.00	0.00	NUM
iajs-774	136	12	0.21	0.21	NUM
iajs-774	136	13	[	[	X
iajs-774	136	14	15	15	NUM
iajs-774	136	15	]	]	PUNCT
iajs-774	136	16	c2h5i	c2h5i	X
iajs-774	136	17	ethyliodide	ethyliodide	ADP
iajs-774	136	18	39.60	39.60	NUM
iajs-774	136	19	39.56	39.56	NUM
iajs-774	136	20	39.14	39.14	NUM
iajs-774	136	21	0.04	0.04	NUM
iajs-774	136	22	0.46	0.46	NUM
iajs-774	136	23	[	[	X
iajs-774	136	24	16	16	NUM
iajs-774	136	25	]	]	PUNCT
iajs-774	136	26	c2h5oi	c2h5oi	NOUN
iajs-774	136	27	iodoethanol	iodoethanol	VERB
iajs-774	136	28	43.16	43.16	NUM
iajs-774	136	29	41.96	41.96	NUM
iajs-774	136	30	42.28	42.28	NUM
iajs-774	136	31	1.20	1.20	NUM
iajs-774	136	32	0.88	0.88	NUM
iajs-774	136	33	[	[	X
iajs-774	136	34	17	17	NUM
iajs-774	136	35	]	]	PUNCT
iajs-774	136	36	c2hi	c2hi	PUNCT
iajs-774	136	37	iodoacetylene	iodoacetylene	NOUN
iajs-774	136	38	10.95	10.95	NUM
iajs-774	136	39	11.54	11.54	NUM
iajs-774	136	40	11.96	11.96	NUM
iajs-774	136	41	-0.59	-0.59	NUM
iajs-774	136	42	-1.01	-1.01	NUM
iajs-774	136	43	[	[	X
iajs-774	136	44	18	18	NUM
iajs-774	136	45	]	]	PUNCT
iajs-774	136	46	c2i2	c2i2	X
iajs-774	136	47	diiodoacetylene	diiodoacetylene	VERB
iajs-774	136	48	5.55	5.55	NUM
iajs-774	136	49	5.59	5.59	NUM
iajs-774	136	50	6.34	6.34	NUM
iajs-774	136	51	-0.04	-0.04	NUM
iajs-774	136	52	-0.79	-0.79	NOUN
iajs-774	136	53	[	[	X
iajs-774	136	54	14	14	NUM
iajs-774	136	55	]	]	SYM
iajs-774	136	56	c2i4	c2i4	NOUN
iajs-774	136	57	tetraiodoethene	tetraiodoethene	NOUN
iajs-774	136	58	6.86	6.86	NUM
iajs-774	136	59	7.10	7.10	NUM
iajs-774	136	60	7.69	7.69	NUM
iajs-774	136	61	-0.24	-0.24	NOUN
iajs-774	137	1	-0.83	-0.83	NOUN
iajs-774	138	1	[	[	X
iajs-774	138	2	19	19	NUM
iajs-774	138	3	]	]	PUNCT
iajs-774	138	4	c3h3i	c3h3i	PUNCT
iajs-774	138	5	methyliodoacetylene	methyliodoacetylene	VERB
iajs-774	138	6	28.33	28.33	NUM
iajs-774	138	7	28.79	28.79	NUM
iajs-774	138	8	28.70	28.70	NUM
iajs-774	138	9	-0.46	-0.46	NUM
iajs-774	138	10	-0.37	-0.37	NUM
iajs-774	138	11	[	[	X
iajs-774	138	12	20	20	NUM
iajs-774	138	13	]	]	PUNCT
iajs-774	138	14	c3h3i	c3h3i	PUNCT
iajs-774	138	15	iodopropadiene	iodopropadiene	VERB
iajs-774	138	16	28.16	28.16	NUM
iajs-774	138	17	27.61	27.61	NUM
iajs-774	138	18	28.41	28.41	NUM
iajs-774	138	19	0.55	0.55	NUM
iajs-774	138	20	-0.25	-0.25	NUM
iajs-774	138	21	[	[	X
iajs-774	138	22	14	14	NUM
iajs-774	138	23	]	]	PUNCT
iajs-774	138	24	c3h3i	c3h3i	PUNCT
iajs-774	138	25	propargyliodide	propargyliodide	VERB
iajs-774	138	26	28.00	28.00	NUM
iajs-774	138	27	28.79	28.79	NUM
iajs-774	138	28	28.70	28.70	NUM
iajs-774	138	29	-0.79	-0.79	NOUN
iajs-774	138	30	-0.70	-0.70	NUM
iajs-774	139	1	[	[	X
iajs-774	139	2	21	21	NUM
iajs-774	139	3	]	]	PUNCT
iajs-774	139	4	c3h5i	c3h5i	PUNCT
iajs-774	139	5	iodocyclopropane	iodocyclopropane	VERB
iajs-774	139	6	43.51	43.51	NUM
iajs-774	139	7	43.71	43.71	NUM
iajs-774	139	8	43.81	43.81	NUM
iajs-774	139	9	-0.20	-0.20	NUM
iajs-774	139	10	-0.30	-0.30	X
iajs-774	140	1	[	[	X
iajs-774	140	2	22	22	NUM
iajs-774	140	3	]	]	PUNCT
iajs-774	140	4	c3h5i	c3h5i	X
iajs-774	140	5	3	3	NUM
iajs-774	140	6	-	-	NUM
iajs-774	140	7	iodopropene	iodopropene	VERB
iajs-774	140	8	42.74	42.74	NUM
iajs-774	140	9	42.21	42.21	NUM
iajs-774	140	10	42.61	42.61	NUM
iajs-774	140	11	0.53	0.53	NUM
iajs-774	140	12	0.13	0.13	NUM
iajs-774	141	1	[	[	X
iajs-774	141	2	11	11	NUM
iajs-774	141	3	]	]	X
iajs-774	141	4	c3h6i2	c3h6i2	PROPN
iajs-774	141	5	1,3	1,3	NUM
iajs-774	141	6	-	-	PUNCT
iajs-774	141	7	diiodopropane	diiodopropane	NOUN
iajs-774	141	8	50.98	50.98	NUM
iajs-774	141	9	50.85	50.85	NUM
iajs-774	141	10	50.63	50.63	NUM
iajs-774	141	11	0.13	0.13	NUM
iajs-774	141	12	0.35	0.35	NUM
iajs-774	142	1	[	[	X
iajs-774	142	2	17	17	NUM
iajs-774	142	3	]	]	PUNCT
iajs-774	142	4	c3h7i	c3h7i	PUNCT
iajs-774	142	5	1	1	NUM
iajs-774	142	6	-	-	PUNCT
iajs-774	142	7	propyliodide	propyliodide	NOUN
iajs-774	142	8	56.80	56.80	NUM
iajs-774	142	9	56.81	56.81	NUM
iajs-774	142	10	56.48	56.48	NUM
iajs-774	142	11	-0.01	-0.01	NUM
iajs-774	142	12	0.32	0.32	NUM
iajs-774	143	1	[	[	X
iajs-774	143	2	11	11	NUM
iajs-774	143	3	]	]	PUNCT
iajs-774	143	4	c3h7i	c3h7i	PUNCT
iajs-774	143	5	isopropyliodide	isopropyliodide	NOUN
iajs-774	143	6	56.63	56.63	NUM
iajs-774	143	7	56.81	56.81	NUM
iajs-774	143	8	56.30	56.30	NUM
iajs-774	143	9	-0.18	-0.18	NUM
iajs-774	143	10	0.33	0.33	NUM
iajs-774	143	11	[	[	X
iajs-774	143	12	17	17	NUM
iajs-774	143	13	]	]	PUNCT
iajs-774	143	14	c3h7oi	c3h7oi	X
iajs-774	144	1	2	2	NUM
iajs-774	144	2	-	-	NOUN
iajs-774	144	3	iodoethylmethyllether	iodoethylmethyllether	ADJ
iajs-774	144	4	59.95	59.95	NUM
iajs-774	144	5	60.13	60.13	NUM
iajs-774	144	6	59.83	59.83	NUM
iajs-774	144	7	-0.18	-0.18	NUM
iajs-774	144	8	0.12	0.12	NUM
iajs-774	144	9	[	[	X
iajs-774	144	10	23	23	NUM
iajs-774	144	11	]	]	PUNCT
iajs-774	144	12	c3ni	c3ni	X
iajs-774	144	13	iodocyanoethyne	iodocyanoethyne	NOUN
iajs-774	144	14	10.97	10.97	NUM
iajs-774	144	15	10.85	10.85	NUM
iajs-774	144	16	12.29	12.29	NUM
iajs-774	144	17	0.12	0.12	NUM
iajs-774	144	18	-1.32	-1.32	NUM
iajs-774	144	19	[	[	X
iajs-774	144	20	14	14	NUM
iajs-774	144	21	]	]	X
iajs-774	144	22	c4h8i2	c4h8i2	X
iajs-774	144	23	1,4	1,4	NUM
iajs-774	144	24	-	-	NOUN
iajs-774	144	25	diiodobutane	diiodobutane	NOUN
iajs-774	144	26	68.23	68.23	NUM
iajs-774	144	27	68.10	68.10	NUM
iajs-774	144	28	67.92	67.92	NUM
iajs-774	144	29	0.13	0.13	NUM
iajs-774	144	30	0.31	0.31	NUM
iajs-774	145	1	[	[	X
iajs-774	145	2	20	20	NUM
iajs-774	145	3	]	]	PUNCT
iajs-774	145	4	c4h9i	c4h9i	PUNCT
iajs-774	145	5	1	1	NUM
iajs-774	145	6	-	-	PUNCT
iajs-774	145	7	iodobutane	iodobutane	NOUN
iajs-774	145	8	74.10	74.10	NUM
iajs-774	145	9	74.06	74.06	NUM
iajs-774	145	10	73.85	73.85	NUM
iajs-774	145	11	0.04	0.04	NUM
iajs-774	145	12	0.25	0.25	NUM
iajs-774	146	1	[	[	X
iajs-774	146	2	24	24	NUM
iajs-774	146	3	]	]	PUNCT
iajs-774	146	4	c4h9i	c4h9i	CCONJ
iajs-774	146	5	tert	tert	NOUN
iajs-774	146	6	-	-	PUNCT
iajs-774	146	7	butyliodide	butyliodide	NOUN
iajs-774	147	1	76.35	76.35	NUM
iajs-774	147	2	74.06	74.06	NUM
iajs-774	147	3	73.25	73.25	NUM
iajs-774	147	4	2.29	2.29	NUM
iajs-774	147	5	3.10	3.10	NUM
iajs-774	147	6	[	[	X
iajs-774	147	7	20	20	NUM
iajs-774	147	8	]	]	PUNCT
iajs-774	147	9	c4hi	c4hi	PUNCT
iajs-774	147	10	iododiacetylene	iododiacetylene	VERB
iajs-774	147	11	17.33	17.33	NUM
iajs-774	147	12	18.03	18.03	NUM
iajs-774	147	13	18.82	18.82	NUM
iajs-774	147	14	-0.70	-0.70	NUM
iajs-774	147	15	-1.49	-1.49	NOUN
iajs-774	148	1	[	[	X
iajs-774	148	2	17	17	NUM
iajs-774	148	3	]	]	X
iajs-774	148	4	c4o3i2	c4o3i2	PROPN
iajs-774	148	5	diiodomalaicanhydride	diiodomalaicanhydride	NOUN
iajs-774	148	6	21.84	21.84	NUM
iajs-774	148	7	21.24	21.24	NUM
iajs-774	148	8	23.16	23.16	NUM
iajs-774	148	9	0.60	0.60	NUM
iajs-774	148	10	-1.32	-1.32	NUM
iajs-774	148	11	[	[	X
iajs-774	148	12	24	24	NUM
iajs-774	148	13	]	]	X
iajs-774	148	14	c5h11i	c5h11i	PROPN
iajs-774	148	15	1	1	NUM
iajs-774	148	16	-	-	PUNCT
iajs-774	148	17	iodopentane	iodopentane	NOUN
iajs-774	148	18	91.37	91.37	NUM
iajs-774	148	19	91.31	91.31	NUM
iajs-774	148	20	91.09	91.09	NUM
iajs-774	148	21	0.06	0.06	NUM
iajs-774	148	22	0.28	0.28	NUM
iajs-774	149	1	[	[	X
iajs-774	149	2	20	20	NUM
iajs-774	149	3	]	]	SYM
iajs-774	149	4	c5h3i	c5h3i	NUM
iajs-774	149	5	1	1	NUM
iajs-774	149	6	-	-	PUNCT
iajs-774	149	7	iodo-1,3	iodo-1,3	NOUN
iajs-774	149	8	-	-	PUNCT
iajs-774	149	9	pentadiyne	pentadiyne	NOUN
iajs-774	149	10	34.51	34.51	NUM
iajs-774	149	11	35.28	35.28	NUM
iajs-774	149	12	35.51	35.51	NUM
iajs-774	149	13	-0.77	-0.77	NUM
iajs-774	149	14	-1.00	-1.00	NUM
iajs-774	149	15	[	[	X
iajs-774	149	16	25	25	NUM
iajs-774	149	17	]	]	PUNCT
iajs-774	149	18	c6h10cli	c6h10cli	NUM
iajs-774	149	19	1,4	1,4	NUM
iajs-774	149	20	-	-	PUNCT
iajs-774	149	21	chloroiodocyclohexane	chloroiodocyclohexane	NOUN
iajs-774	149	22	91.38	91.38	NUM
iajs-774	149	23	90.08	90.08	NUM
iajs-774	149	24	91.72	91.72	NUM
iajs-774	149	25	1.30	1.30	NUM
iajs-774	149	26	-0.34	-0.34	NOUN
iajs-774	150	1	[	[	X
iajs-774	150	2	26	26	NUM
iajs-774	150	3	]	]	PUNCT
iajs-774	150	4	c6h10i2	c6h10i2	VERB
iajs-774	150	5	1,4	1,4	NUM
iajs-774	150	6	-	-	NOUN
iajs-774	150	7	diiodocyclohexane	diiodocyclohexane	NOUN
iajs-774	150	8	90.62	90.62	NUM
iajs-774	150	9	89.51	89.51	NUM
iajs-774	150	10	91.18	91.18	NUM
iajs-774	150	11	1.11	1.11	NUM
iajs-774	150	12	-0.56	-0.56	NUM
iajs-774	150	13	[	[	X
iajs-774	150	14	21	21	NUM
iajs-774	150	15	]	]	PUNCT
iajs-774	150	16	c6h10ibr	c6h10ibr	NUM
iajs-774	150	17	1,4	1,4	NUM
iajs-774	150	18	-	-	ADJ
iajs-774	150	19	iodobromocyclohexane	iodobromocyclohexane	NOUN
iajs-774	150	20	91.05	91.05	NUM
iajs-774	150	21	89.86	89.86	NUM
iajs-774	150	22	91.29	91.29	NUM
iajs-774	150	23	1.19	1.19	NUM
iajs-774	150	24	-0.24	-0.24	NOUN
iajs-774	150	25	[	[	X
iajs-774	150	26	27	27	NUM
iajs-774	150	27	]	]	PUNCT
iajs-774	150	28	c6h4i2	c6h4i2	NOUN
iajs-774	150	29	1,2	1,2	NUM
iajs-774	150	30	-	-	PUNCT
iajs-774	150	31	diiodobenzene	diiodobenzene	VERB
iajs-774	150	32	48.10	48.10	NUM
iajs-774	150	33	48.29	48.29	NUM
iajs-774	150	34	c	c	PROPN
iajs-774	150	35	49.40	49.40	NUM
iajs-774	150	36	-0.19	-0.19	NUM
iajs-774	150	37	-1.30	-1.30	NUM
iajs-774	150	38	[	[	X
iajs-774	150	39	28	28	NUM
iajs-774	150	40	]	]	PUNCT
iajs-774	150	41	c6h5i	c6h5i	PUNCT
iajs-774	150	42	iodobenzene	iodobenzene	NOUN
iajs-774	151	1	54.68	54.68	NUM
iajs-774	151	2	54.72c	54.72c	NUM
iajs-774	151	3	55.57	55.57	NUM
iajs-774	151	4	-0.04	-0.04	NUM
iajs-774	151	5	-0.89	-0.89	NUM
iajs-774	152	1	[	[	X
iajs-774	152	2	28	28	NUM
iajs-774	152	3	]	]	X
iajs-774	152	4	a	a	DET
iajs-774	152	5	zpe	zpe	NOUN
iajs-774	152	6	(	(	PUNCT
iajs-774	152	7	experimental	experimental	ADJ
iajs-774	152	8	)	)	PUNCT
iajs-774	152	9	–	–	PUNCT
iajs-774	152	10	zpe(calculated	zpe(calculated	NUM
iajs-774	152	11	)	)	PUNCT
iajs-774	152	12	.	.	PUNCT
iajs-774	153	1	b	b	NOUN
iajs-774	153	2	values	value	NOUN
iajs-774	153	3	adjust	adjust	VERB
iajs-774	153	4	by	by	ADP
iajs-774	153	5	0.96	0.96	NUM
iajs-774	153	6	.	.	PUNCT
iajs-774	154	1	c	c	AUX
iajs-774	154	2	adjust	adjust	VERB
iajs-774	154	3	value	value	NOUN
iajs-774	154	4	by	by	ADP
iajs-774	154	5	eq	eq	PROPN
iajs-774	154	6	.	.	PUNCT
iajs-774	155	1	(	(	PUNCT
iajs-774	155	2	5	5	X
iajs-774	155	3	)	)	PUNCT
iajs-774	155	4	ibn	ibn	NOUN
iajs-774	155	5	alhaitham	alhaitham	NOUN
iajs-774	155	6	j.	j.	PROPN
iajs-774	155	7	for	for	ADP
iajs-774	155	8	pure	pure	ADJ
iajs-774	155	9	&	&	CCONJ
iajs-774	155	10	appl	appl	PROPN
iajs-774	155	11	.	.	PUNCT
iajs-774	156	1	sci	sci	PROPN
iajs-774	156	2	.	.	PUNCT
iajs-774	156	3	vol.24	vol.24	NOUN
iajs-774	156	4	(	(	PUNCT
iajs-774	156	5	2	2	NUM
iajs-774	156	6	)	)	PUNCT
iajs-774	156	7	2011	2011	NUM
iajs-774	156	8	table	table	NOUN
iajs-774	156	9	(	(	PUNCT
iajs-774	156	10	2	2	NUM
iajs-774	156	11	)	)	PUNCT
iajs-774	156	12	contribution	contribution	NOUN
iajs-774	156	13	of	of	ADP
iajs-774	156	14	each	each	DET
iajs-774	156	15	bond	bond	NOUN
iajs-774	156	16	tozpe	tozpe	ADP
iajs-774	156	17	(	(	PUNCT
iajs-774	156	18	in	in	ADP
iajs-774	156	19	kcal	kcal	PROPN
iajs-774	156	20	/	/	SYM
iajs-774	156	21	mol	mol	NOUN
iajs-774	156	22	)	)	PUNCT
iajs-774	156	23	bond	bond	NOUN
iajs-774	156	24	bond	bond	NOUN
iajs-774	156	25	contribtion	contribtion	NOUN
iajs-774	156	26	(	(	PUNCT
iajs-774	156	27	bci	bci	PROPN
iajs-774	156	28	c	c	PROPN
iajs-774	156	29	-	-	PUNCT
iajs-774	156	30	h	h	PROPN
iajs-774	156	31	n	n	CCONJ
iajs-774	156	32	-	-	PUNCT
iajs-774	156	33	h	h	NOUN
iajs-774	156	34	o	o	NOUN
iajs-774	156	35	-	-	NOUN
iajs-774	156	36	h	h	ADJ
iajs-774	156	37	s	s	NOUN
iajs-774	156	38	-	-	NOUN
iajs-774	156	39	h	h	ADJ
iajs-774	156	40	c	c	NOUN
iajs-774	156	41	-	-	NOUN
iajs-774	156	42	o	o	NOUN
iajs-774	156	43	c	c	NOUN
iajs-774	156	44	-	-	PUNCT
iajs-774	156	45	c	c	NOUN
iajs-774	156	46	c	c	NOUN
iajs-774	156	47	-	-	PUNCT
iajs-774	156	48	n	n	PRON
iajs-774	156	49	c	c	NOUN
iajs-774	156	50	-	-	PUNCT
iajs-774	156	51	s	s	NOUN
iajs-774	156	52	n	n	CCONJ
iajs-774	156	53	-	-	PUNCT
iajs-774	156	54	n	n	CCONJ
iajs-774	156	55	c	c	NOUN
iajs-774	156	56	-	-	PUNCT
iajs-774	156	57	f	f	ADJ
iajs-774	156	58	c	c	NOUN
iajs-774	156	59	-	-	PUNCT
iajs-774	156	60	cl	cl	NOUN
iajs-774	156	61	c	c	NOUN
iajs-774	156	62	=	=	NOUN
iajs-774	156	63	c	c	NOUN
iajs-774	156	64	c	c	NOUN
iajs-774	156	65	=	=	NOUN
iajs-774	156	66	n	n	NOUN
iajs-774	156	67	c	c	NOUN
iajs-774	156	68	=	=	NOUN
iajs-774	156	69	o	o	X
iajs-774	156	70	c	c	X
iajs-774	156	71	=	=	SYM
iajs-774	156	72	s	s	PART
iajs-774	156	73	c≡c	c≡c	PROPN
iajs-774	156	74	c≡n	c≡n	VERB
iajs-774	156	75	c	c	NOUN
iajs-774	156	76	-	-	PUNCT
iajs-774	156	77	br	br	NOUN
iajs-774	156	78	c	c	NOUN
iajs-774	156	79	-	-	PUNCT
iajs-774	156	80	i	i	PRON
iajs-774	156	81	7.5877	7.5877	NUM
iajs-774	156	82	a	a	DET
iajs-774	156	83	7.2013a	7.2013a	NUM
iajs-774	156	84	7.2964	7.2964	NUM
iajs-774	156	85	a	a	DET
iajs-774	156	86	5.6921	5.6921	NUM
iajs-774	156	87	a	a	DET
iajs-774	156	88	2.6985	2.6985	NUM
iajs-774	156	89	a	a	DET
iajs-774	156	90	2.0751	2.0751	NUM
iajs-774	156	91	a	a	DET
iajs-774	156	92	4.1409	4.1409	NUM
iajs-774	156	93	a	a	DET
iajs-774	156	94	1.4403	1.4403	NUM
iajs-774	156	95	a	a	DET
iajs-774	156	96	6.8372a	6.8372a	PROPN
iajs-774	156	97	3.3078	3.3078	NUM
iajs-774	156	98	a	a	DET
iajs-774	156	99	2.2051a	2.2051a	NUM
iajs-774	156	100	2.6501	2.6501	NUM
iajs-774	156	101	a	a	DET
iajs-774	156	102	3.8852a	3.8852a	PROPN
iajs-774	156	103	3.9343	3.9343	NUM
iajs-774	156	104	a	a	DET
iajs-774	156	105	2.7319a	2.7319a	NUM
iajs-774	156	106	4.4125	4.4125	NUM
iajs-774	156	107	a	a	DET
iajs-774	156	108	4.8169a	4.8169a	NOUN
iajs-774	157	1	1.9837	1.9837	NUM
iajs-774	157	2	b	b	NOUN
iajs-774	157	3	1.6344	1.6344	NUM
iajs-774	157	4	c	c	NOUN
iajs-774	157	5	a	a	DET
iajs-774	157	6	ref	ref	NOUN
iajs-774	158	1	[	[	X
iajs-774	158	2	7	7	NUM
iajs-774	158	3	]	]	PUNCT
iajs-774	158	4	.	.	PUNCT
iajs-774	159	1	b	b	X
iajs-774	159	2	ref	ref	NOUN
iajs-774	160	1	[	[	X
iajs-774	160	2	8	8	NUM
iajs-774	160	3	]	]	PUNCT
iajs-774	160	4	.	.	PUNCT
iajs-774	161	1	c	c	NOUN
iajs-774	161	2	this	this	DET
iajs-774	161	3	study	study	NOUN
iajs-774	161	4	.	.	PUNCT
iajs-774	162	1	ibn	ibn	PROPN
iajs-774	162	2	alhaitham	alhaitham	PROPN
iajs-774	162	3	j.	j.	PROPN
iajs-774	162	4	for	for	ADP
iajs-774	162	5	pure	pure	ADJ
iajs-774	162	6	&	&	CCONJ
iajs-774	162	7	appl	appl	PROPN
iajs-774	162	8	.	.	PUNCT
iajs-774	163	1	sci	sci	PROPN
iajs-774	163	2	.	.	PUNCT
iajs-774	163	3	vol.24	vol.24	NOUN
iajs-774	163	4	(	(	PUNCT
iajs-774	163	5	2	2	NUM
iajs-774	163	6	)	)	PUNCT
iajs-774	163	7	2011	2011	NUM
iajs-774	163	8	zpe(exp	zpe(exp	NOUN
iajs-774	163	9	.	.	PUNCT
iajs-774	163	10	)	)	PUNCT
iajs-774	164	1	=	=	PUNCT
iajs-774	164	2	1.011*zpe(emp	1.011*zpe(emp	NUM
iajs-774	164	3	.	.	PUNCT
iajs-774	164	4	)	)	PUNCT
iajs-774	165	1	0.397	0.397	NUM
iajs-774	165	2	r	r	NOUN
iajs-774	165	3	=	=	SYM
iajs-774	165	4	0.99984	0.99984	NUM
iajs-774	165	5	,	,	PUNCT
iajs-774	165	6	sd	sd	ADP
iajs-774	165	7	=	=	NOUN
iajs-774	165	8	0.579	0.579	NUM
iajs-774	165	9	,	,	PUNCT
iajs-774	165	10	n	n	PROPN
iajs-774	165	11	=	=	SYM
iajs-774	165	12	37	37	NUM
iajs-774	165	13	0	0	NUM
iajs-774	165	14	10	10	NUM
iajs-774	165	15	20	20	NUM
iajs-774	165	16	30	30	NUM
iajs-774	165	17	40	40	NUM
iajs-774	165	18	50	50	NUM
iajs-774	165	19	60	60	NUM
iajs-774	165	20	70	70	NUM
iajs-774	165	21	80	80	NUM
iajs-774	165	22	90	90	NUM
iajs-774	165	23	100	100	NUM
iajs-774	165	24	0	0	NUM
iajs-774	165	25	20	20	NUM
iajs-774	165	26	40	40	NUM
iajs-774	165	27	60	60	NUM
iajs-774	165	28	80	80	NUM
iajs-774	165	29	100	100	NUM
iajs-774	165	30	z	z	NOUN
iajs-774	165	31	p	p	X
iajs-774	165	32	e	e	X
iajs-774	165	33	(	(	PUNCT
iajs-774	165	34	e	e	X
iajs-774	165	35	xp	xp	INTJ
iajs-774	165	36	.	.	PUNCT
iajs-774	165	37	)	)	PUNCT
iajs-774	166	1	(	(	PUNCT
iajs-774	166	2	k	k	X
iajs-774	166	3	ca	can	AUX
iajs-774	166	4	l/	l/	PROPN
iajs-774	166	5	m	m	VERB
iajs-774	166	6	ol	ol	ADJ
iajs-774	166	7	)	)	PUNCT
iajs-774	166	8	zpe(emp	zpe(emp	ADV
iajs-774	166	9	.	.	PUNCT
iajs-774	166	10	)	)	PUNCT
iajs-774	167	1	(	(	PUNCT
iajs-774	167	2	kcal	kcal	NOUN
iajs-774	167	3	/	/	SYM
iajs-774	167	4	mol	mol	NOUN
iajs-774	167	5	)	)	PUNCT
iajs-774	167	6	fig	fig	NOUN
iajs-774	167	7	.	.	PUNCT
iajs-774	168	1	(	(	PUNCT
iajs-774	168	2	1	1	X
iajs-774	168	3	)	)	PUNCT
iajs-774	168	4	comparison	comparison	NOUN
iajs-774	168	5	between	between	ADP
iajs-774	168	6	experimental	experimental	ADJ
iajs-774	168	7	zpe	zpe	PROPN
iajs-774	168	8	’s	’s	PART
iajs-774	168	9	and	and	CCONJ
iajs-774	168	10	empirical	empirical	ADJ
iajs-774	168	11	values	value	NOUN
iajs-774	168	12	calculated	calculate	VERB
iajs-774	168	13	using	use	VERB
iajs-774	168	14	eq.(4	eq.(4	PRON
iajs-774	168	15	)	)	PUNCT
iajs-774	168	16	fig	fig	NOUN
iajs-774	168	17	.	.	PUNCT
iajs-774	169	1	(	(	PUNCT
iajs-774	169	2	2	2	X
iajs-774	169	3	)	)	PUNCT
iajs-774	169	4	comparison	comparison	NOUN
iajs-774	169	5	between	between	ADP
iajs-774	169	6	zpe	zpe	PROPN
iajs-774	169	7	’s	’s	PART
iajs-774	169	8	experimental	experimental	ADJ
iajs-774	169	9	and	and	CCONJ
iajs-774	169	10	empirical	empirical	ADJ
iajs-774	169	11	values	value	NOUN
iajs-774	169	12	except	except	SCONJ
iajs-774	169	13	tert	tert	NOUN
iajs-774	169	14	-	-	PUNCT
iajs-774	169	15	butyl	butyl	NOUN
iajs-774	169	16	iodide	iodide	NOUN
iajs-774	169	17	value	value	NOUN
iajs-774	169	18	’s	’s	PART
iajs-774	169	19	ibn	ibn	PROPN
iajs-774	169	20	alhaitham	alhaitham	NOUN
iajs-774	169	21	j.	j.	PROPN
iajs-774	169	22	for	for	ADP
iajs-774	169	23	pure	pure	ADJ
iajs-774	169	24	&	&	CCONJ
iajs-774	169	25	appl	appl	PROPN
iajs-774	169	26	.	.	PUNCT
iajs-774	170	1	sci	sci	PROPN
iajs-774	170	2	.	.	PUNCT
iajs-774	170	3	vol.24	vol.24	NOUN
iajs-774	170	4	(	(	PUNCT
iajs-774	170	5	2	2	NUM
iajs-774	170	6	)	)	PUNCT
iajs-774	170	7	2011	2011	NUM
iajs-774	170	8	fig	fig	NOUN
iajs-774	170	9	.	.	PUNCT
iajs-774	171	1	(	(	PUNCT
iajs-774	171	2	3	3	X
iajs-774	171	3	)	)	PUNCT
iajs-774	171	4	comparison	comparison	NOUN
iajs-774	171	5	between	between	ADP
iajs-774	171	6	experimental	experimental	ADJ
iajs-774	171	7	zpe	zpe	PROPN
iajs-774	171	8	’s	’s	PART
iajs-774	171	9	and	and	CCONJ
iajs-774	171	10	theortical	theortical	ADJ
iajs-774	171	11	(	(	PUNCT
iajs-774	171	12	am1	am1	PROPN
iajs-774	171	13	)	)	PUNCT
iajs-774	171	14	zpe	zpe	PROPN
iajs-774	171	15	2011	2011	NUM
iajs-774	171	16	)	)	PUNCT
iajs-774	171	17	2	2	NUM
iajs-774	171	18	(	(	PUNCT
iajs-774	171	19	24المجلد	24المجلد	NUM
iajs-774	171	20	مجلة	مجلة	VERB
iajs-774	171	21	ابن	ابن	PROPN
iajs-774	171	22	الھیثم	الھیثم	PROPN
iajs-774	171	23	للعلوم	للعلوم	PROPN
iajs-774	171	24	الصرفة	الصرفة	PROPN
iajs-774	171	25	والتطبیقیة	والتطبیقیة	PROPN
iajs-774	171	26	طاقات	طاقات	PROPN
iajs-774	171	27	نقطة	نقطة	PROPN
iajs-774	171	28	الصفر	الصفر	VERB
iajs-774	171	29	لمركبات	لمركبات	ADJ
iajs-774	171	30	الیود	الیود	NOUN
iajs-774	171	31	ناصر	ناصر	NOUN
iajs-774	172	1	سعید	سعید	NOUN
iajs-774	172	2	قسم	قسم	PROPN
iajs-774	172	3	الكیمیاء	الكیمیاء	PROPN
iajs-774	172	4	،	،	PROPN
iajs-774	172	5	ابن	ابن	PROPN
iajs-774	172	6	الهیثم	الهیثم	PROPN
iajs-774	172	7	،	،	PROPN
iajs-774	172	8	جامعة	جامعة	PROPN
iajs-774	172	9	بغداد	بغداد	PROPN
iajs-774	172	10	كلیة	كلیة	PROPN
iajs-774	172	11	التربیة	التربیة	NOUN
iajs-774	172	12	2011نیسان	2011نیسان	NUM
iajs-774	172	13	11	11	NUM
iajs-774	172	14	:	:	PUNCT
iajs-774	172	15	استلم	استلم	PROPN
iajs-774	172	16	البحث	البحث	VERB
iajs-774	172	17	في	في	PUNCT
iajs-774	173	1	2011آیار	2011آیار	NUM
iajs-774	173	2	30	30	NUM
iajs-774	173	3	:	:	PUNCT
iajs-774	173	4	قبل	قبل	NOUN
iajs-774	173	5	البحث	البحث	VERB
iajs-774	173	6	في	في	ADP
iajs-774	173	7	الخالصة	الخالصة	PROPN
iajs-774	173	8	ة	ة	X
iajs-774	173	9	وضمت	وضمت	ADJ
iajs-774	174	1	c	c	NOUN
iajs-774	174	2	-	-	PUNCT
iajs-774	174	3	iمساهمة	iمساهمة	PROPN
iajs-774	174	4	االصرة	االصرة	PROPN
iajs-774	174	5	تفي	تفي	INTJ
iajs-774	175	1	هذه	هذه	PROPN
iajs-774	175	2	الدراسة	الدراسة	PROPN
iajs-774	176	1	،	،	PROPN
iajs-774	177	1	اشتق	اشتق	PROPN
iajs-774	178	1	مع	مع	PROPN
iajs-774	179	1	مساهمات	مساهمات	PROPN
iajs-774	180	1	االواصر	االواصر	NOUN
iajs-774	180	2	المشتقة	المشتقة	PROPN
iajs-774	180	3	سابقا	سابقا	PROPN
iajs-774	180	4	في	في	DET
iajs-774	180	5	الصیغ	الصیغ	NOUN
iajs-774	180	6	وجد	وجد	VERB
iajs-774	180	7	ان	ان	PROPN
iajs-774	180	8	و	و	PROPN
iajs-774	180	9	طاقات	طاقات	PROPN
iajs-774	180	10	نقطة	نقطة	NOUN
iajs-774	180	11	الصفر	الصفر	VERB
iajs-774	180	12	لمركبات	لمركبات	PRON
iajs-774	180	13	الیود	الیود	NOUN
iajs-774	180	14	من	من	DET
iajs-774	180	15	خالل	خالل	PROPN
iajs-774	180	16	مساهمات	مساهمات	PROPN
iajs-774	180	17	االواصر	االواصر	PROPN
iajs-774	181	1	المشتقة	المشتقة	PROPN
iajs-774	181	2	،	،	PROPN
iajs-774	181	3	حسبت	حسبت	PROPN
iajs-774	182	1	والوضعیة	والوضعیة	VERB
iajs-774	182	2	لمركبات	لمركبات	ADJ
iajs-774	182	3	الیود	الیود	NOUN
iajs-774	182	4	،	،	X
iajs-774	182	5	محسوبة	محسوبة	PROPN
iajs-774	183	1	لـ	لـ	INTJ
iajs-774	184	1	ةقیم	ةقیم	PROPN
iajs-774	184	2	طاقبین	طاقبین	PROPN
iajs-774	184	3	عالقة	عالقة	PROPN
iajs-774	184	4	ال	ال	PROPN
iajs-774	184	5	،	،	PROPN
iajs-774	184	6	هي	هي	PROPN
iajs-774	184	7	عالقة	عالقة	PROPN
iajs-774	184	8	جیدة	جیدة	PROPN
iajs-774	184	9	القیم	القیم	PROPN
iajs-774	184	10	التجریبیةمع	التجریبیةمع	PROPN
iajs-774	184	11	جزیئة	جزیئة	PROPN
iajs-774	184	12	تحتوي	تحتوي	PROPN
iajs-774	184	13	هذه	هذه	PROPN
iajs-774	184	14	االصرة	االصرة	VERB
iajs-774	184	15	38نقطة	38نقطة	PROPN
iajs-774	184	16	الصفر	الصفر	PROPN
iajs-774	184	17	ال	ال	ADP
iajs-774	184	18	semiempirical	semiempirical	ADJ
iajs-774	184	19	(	(	PUNCT
iajs-774	184	20	am	be	AUX
iajs-774	185	1	وكذلك	وكذلك	ADJ
iajs-774	185	2	مقارنة	مقارنة	PROPN
iajs-774	185	3	هذه	هذه	PROPN
iajs-774	185	4	النتائج	النتائج	PROPN
iajs-774	185	5	مع	مع	X
iajs-774	185	6	قیم	قیم	PROPN
iajs-774	185	7	طاقات	طاقات	PROPN
iajs-774	185	8	نقطة	نقطة	PROPN
iajs-774	185	9	الصفر	الصفر	PROPN
iajs-774	185	10	المحسوبة	المحسوبة	PROPN
iajs-774	185	11	بـ	بـ	PROPN
iajs-774	185	12	.	.	PUNCT
iajs-774	186	1	تبدو	تبدو	PROPN
iajs-774	186	2	مقنعة	مقنعة	PROPN
iajs-774	186	3	جدا	جدا	PROPN
iajs-774	186	4	(	(	PUNCT
iajs-774	186	5	1	1	NUM