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	hartrees
Energy at 0K	-476.153695
Energy at 298.15K	-476.157384
HF Energy	-475.611389
Nuclear repulsion energy	93.283860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3116	6.60
2	A'	3203	3061	2.61
3	A'	3170	3029	2.21
4	A'	2723	2602	2.08
5	A'	1677	1603	30.91
6	A'	1448	1384	7.79
7	A'	1320	1261	2.01
8	A'	1096	1047	19.53
9	A'	908	867	4.67
10	A'	713	682	14.28
11	A'	377	360	3.80
12	A"	1005	960	21.36
13	A"	907	867	40.38
14	A"	606	579	12.83
15	A"	257	246	12.43

Atom	x (Å)	y (Å)
C1	1.291	1.097
C2	0.000	0.767
S3	-0.694	-0.855
H4	2.076	0.353
H5	1.584	2.137
H6	-0.765	1.532
H7	0.469	-1.521

	C1	C2	S3	H4	H5	H6	H7
C1		1.3326	2.7846	1.0816	1.0803	2.1018	2.7438
C2	1.3326		1.7646	2.1169	2.0943	1.0822	2.3352
S3	2.7846	1.7646		3.0224	3.7610	2.3886	1.3401
H4	1.0816	2.1169	3.0224		1.8505	3.0762	2.4685
H5	1.0803	2.0943	3.7610	1.8505		2.4258	3.8238
H6	2.1018	1.0822	2.3886	3.0762	2.4258		3.2929
H7	2.7438	2.3352	1.3401	2.4685	3.8238	3.2929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.516	C1	C2	H6	120.652
C2	C1	H4	122.186	C2	C1	H5	120.080
C2	S3	H7	96.595	S3	C2	H6	111.832
H4	C1	H5	117.735

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)