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	hartrees
Energy at 0K	-476.017409
Energy at 298.15K	-476.021058
HF Energy	-475.570368
Nuclear repulsion energy	92.362682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3138	7.86
2	A'	3204	3074	3.62
3	A'	3172	3043	2.81
4	A'	2730	2620	6.33
5	A'	1677	1609	26.52
6	A'	1430	1372	7.09
7	A'	1303	1250	2.19
8	A'	1087	1043	19.32
9	A'	901	865	4.41
10	A'	710	681	14.42
11	A'	377	362	3.64
12	A"	986	946	23.25
13	A"	877	841	32.46
14	A"	593	569	10.53
15	A"	249	239	15.42

Atom	x (Å)	y (Å)
C1	1.305	1.106
C2	0.000	0.771
S3	-0.702	-0.862
H4	2.104	0.354
H5	1.601	2.161
H6	-0.776	1.548
H7	0.474	-1.531

	C1	C2	S3	H4	H5	H6	H7
C1		1.3477	2.8119	1.0969	1.0954	2.1280	2.7657
C2	1.3477		1.7784	2.1446	2.1200	1.0980	2.3510
S3	2.8119	1.7784		3.0581	3.8009	2.4117	1.3527
H4	1.0969	2.1446	3.0581		1.8759	3.1175	2.4921
H5	1.0954	2.1200	3.8009	1.8759		2.4549	3.8607
H6	2.1280	1.0980	2.4117	3.1175	2.4549		3.3234
H7	2.7657	2.3510	1.3527	2.4921	3.8607	3.3234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.643	C1	C2	H6	120.592
C2	C1	H4	122.300	C2	C1	H5	120.037
C2	S3	H7	96.377	S3	C2	H6	111.766
H4	C1	H5	117.662

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: QCISD/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)