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	hartrees
Energy at 0K	-476.821067
Energy at 298.15K	-476.824730
HF Energy	-476.821067
Nuclear repulsion energy	92.911251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3111	13.38
2	A'	3166	3060	3.16
3	A'	3135	3030	4.67
4	A'	2613	2525	9.95
5	A'	1663	1607	48.60
6	A'	1437	1389	9.53
7	A'	1321	1276	0.94
8	A'	1094	1057	30.09
9	A'	907	877	6.69
10	A'	684	661	21.82
11	A'	382	369	3.96
12	A"	986	953	27.13
13	A"	875	846	50.30
14	A"	598	578	18.87
15	A"	268	259	18.93

Atom	x (Å)	y (Å)
C1	1.281	1.123
C2	0.000	0.766
S3	-0.689	-0.867
H4	2.093	0.403
H5	1.555	2.172
H6	-0.787	1.514
H7	0.481	-1.545

	C1	C2	S3	H4	H5	H6	H7
C1		1.3300	2.8004	1.0854	1.0842	2.1052	2.7847
C2	1.3300		1.7724	2.1246	2.0966	1.0859	2.3599
S3	2.8004	1.7724		3.0587	3.7779	2.3826	1.3525
H4	1.0854	2.1246	3.0587		1.8490	3.0876	2.5281
H5	1.0842	2.0966	3.7779	1.8490		2.4335	3.8684
H6	2.1052	1.0859	2.3826	3.0876	2.4335		3.3109
H7	2.7847	2.3599	1.3525	2.5281	3.8684	3.3109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.458	C1	C2	H6	120.909
C2	C1	H4	122.873	C2	C1	H5	120.217
C2	S3	H7	97.176	S3	C2	H6	110.634
H4	C1	H5	116.910

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.427
2	C	-0.339
3	S	-0.035
4	H	0.203
5	H	0.213
6	H	0.237
7	H	0.148

	x	y	z	Total
	0.961	0.325	0.000	1.014
CHELPG
AIM
ESP

	x	y	z
x	7.288	1.625	0.000
y	1.625	7.090	0.000
z	0.000	0.000	2.913

<r²>	74.221
(<r²>)^1/2	8.615

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)