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	hartrees
Energy at 0K	-476.769977
Energy at 298.15K	-476.773612
HF Energy	-476.769977
Nuclear repulsion energy	92.729472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3169	17.92
2	A'	3112	3112	4.37
3	A'	3082	3082	7.32
4	A'	2571	2571	12.14
5	A'	1619	1619	51.45
6	A'	1406	1406	10.04
7	A'	1293	1293	0.61
8	A'	1072	1072	29.20
9	A'	892	892	5.59
10	A'	670	670	22.70
11	A'	379	379	3.74
12	A"	953	953	29.11
13	A"	820	820	46.92
14	A"	582	582	18.79
15	A"	287	287	18.73

Atom	x (Å)	y (Å)
C1	1.290	1.118
C2	0.000	0.765
S3	-0.694	-0.865
H4	2.101	0.390
H5	1.569	2.170
H6	-0.789	1.518
H7	0.481	-1.542

	C1	C2	S3	H4	H5	H6	H7
C1		1.3379	2.8052	1.0896	1.0884	2.1171	2.7807
C2	1.3379		1.7712	2.1338	2.1060	1.0903	2.3568
S3	2.8052	1.7712		3.0631	3.7855	2.3843	1.3566
H4	1.0896	2.1338	3.0631		1.8586	3.1017	2.5207
H5	1.0884	2.1060	3.7855	1.8586		2.4459	3.8685
H6	2.1171	1.0903	2.3843	3.1017	2.4459		3.3130
H7	2.7807	2.3568	1.3566	2.5207	3.8685	3.3130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.376	C1	C2	H6	121.024
C2	C1	H4	122.727	C2	C1	H5	120.113
C2	S3	H7	96.897	S3	C2	H6	110.600
H4	C1	H5	117.160

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B97D3/6-311G*

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	-0.416
2	C	-0.329
3	S	-0.043
4	H	0.195
5	H	0.207
6	H	0.230
7	H	0.156

	x	y	z	Total
	0.921	0.264	0.000	0.958
CHELPG
AIM
ESP

	x	y	z
x	7.400	1.699	0.000
y	1.699	7.253	0.000
z	0.000	0.000	2.936

<r²>	74.261
(<r²>)^1/2	8.617

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)