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	hartrees
Energy at 0K	-475.906058
Energy at 298.15K	-475.909790
HF Energy	-475.541470
Nuclear repulsion energy	93.306413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3340	3092	9.46
2	A'	3286	3042	3.88
3	A'	3252	3010	2.91
4	A'	2813	2604	13.35
5	A'	1754	1624	25.27
6	A'	1502	1390	7.00
7	A'	1373	1271	1.53
8	A'	1140	1056	26.65
9	A'	950	879	7.77
10	A'	739	684	14.12
11	A'	397	367	4.04
12	A"	1042	965	24.91
13	A"	940	870	43.53
14	A"	627	581	11.81
15	A"	252	234	19.79

Atom	x (Å)	y (Å)
C1	1.286	1.102
C2	0.000	0.766
S3	-0.692	-0.857
H4	2.081	0.367
H5	1.578	2.143
H6	-0.770	1.528
H7	0.467	-1.527

	C1	C2	S3	H4	H5	H6	H7
C1		1.3291	2.7842	1.0828	1.0814	2.0995	2.7532
C2	1.3291		1.7647	2.1191	2.0945	1.0831	2.3396
S3	2.7842	1.7647		3.0317	3.7626	2.3864	1.3385
H4	1.0828	2.1191	3.0317		1.8460	3.0784	2.4884
H5	1.0814	2.0945	3.7626	1.8460		2.4273	3.8343
H6	2.0995	1.0831	2.3864	3.0784	2.4273		3.2953
H7	2.7532	2.3396	1.3385	2.4884	3.8343	3.2953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.738	C1	C2	H6	120.660
C2	C1	H4	122.618	C2	C1	H5	120.317
C2	S3	H7	96.906	S3	C2	H6	111.602
H4	C1	H5	117.064

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CISD/6-31G*

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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All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)