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	hartrees
Energy at 0K	-88.670356
Energy at 298.15K	-88.673983
HF Energy	-88.670356
Nuclear repulsion energy	53.508521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3141	18.39
2	A'	3225	3100	3.06
3	A'	3161	3038	1.78
4	A'	2514	2416	24.14
5	A'	1650	1586	50.44
6	A'	1442	1386	11.93
7	A'	1316	1264	1.74
8	A'	1087	1045	31.91
9	A'	886	852	9.38
10	A'	649	624	22.26
11	A'	374	359	2.92
12	A"	997	958	41.94
13	A"	949	912	92.27
14	A"	601	577	21.93
15	A"	257	247	24.69

Atom	x (Å)	y (Å)
C1	1.300	1.151
C2	0.000	0.797
S3	-0.699	-0.892
H4	2.111	0.428
H5	1.578	2.203
H6	-0.796	1.537
H7	0.492	-1.585

	C1	C2	S3	H4	H5	H6	H7
C1		1.3468	2.8580	1.0875	1.0877	2.1304	2.8533
C2	1.3468		1.8282	2.1436	2.1129	1.0866	2.4330
S3	2.8580	1.8282		3.1048	3.8419	2.4314	1.3778
H4	1.0875	2.1436	3.1048		1.8534	3.1117	2.5839
H5	1.0877	2.1129	3.8419	1.8534		2.4648	3.9407
H6	2.1304	1.0866	2.4314	3.1117	2.4648		3.3778
H7	2.8533	2.4330	1.3778	2.5839	3.9407	3.3778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.705	C1	C2	H6	121.836
C2	C1	H4	123.070	C2	C1	H5	120.055
C2	S3	H7	97.743	S3	C2	H6	110.459
H4	C1	H5	116.875

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B3LYP/LANL2DZ

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	-0.437
2	C	-0.315
3	S	-0.004
4	H	0.214
5	H	0.217
6	H	0.241
7	H	0.085

	x	y	z	Total
	1.221	0.477	0.000	1.311
CHELPG
AIM
ESP

	x	y	z
x	6.851	1.521	0.000
y	1.521	6.682	0.000
z	0.000	0.000	1.652

<r²>	63.224
(<r²>)^1/2	7.951

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)