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	hartrees
Energy at 0K	-473.566962
Energy at 298.15K	-473.570711
HF Energy	-473.266929
Nuclear repulsion energy	93.103341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3061	9.26
2	A'	3238	3013	2.66
3	A'	3208	2985	2.47
4	A'	2798	2603	7.44
5	A'	1722	1602	17.70
6	A'	1533	1427	6.60
7	A'	1395	1298	0.94
8	A'	1167	1086	22.21
9	A'	975	907	9.14
10	A'	712	662	12.73
11	A'	409	380	3.47
12	A"	1051	978	22.49
13	A"	981	913	57.40
14	A"	634	590	14.15
15	A"	241	224	21.56

Atom	x (Å)	y (Å)
C1	1.290	1.100
C2	0.000	0.771
S3	-0.695	-0.858
H4	2.082	0.360
H5	1.598	2.138
H6	-0.769	1.535
H7	0.464	-1.526

	C1	C2	S3	H4	H5	H6	H7
C1		1.3315	2.7885	1.0841	1.0827	2.1049	2.7533
C2	1.3315		1.7715	2.1227	2.1030	1.0841	2.3438
S3	2.7885	1.7715		3.0327	3.7731	2.3948	1.3372
H4	1.0841	2.1227	3.0327		1.8428	3.0843	2.4856
H5	1.0827	2.1030	3.7731	1.8428		2.4430	3.8359
H6	2.1049	1.0841	2.3948	3.0843	2.4430		3.3004
H7	2.7533	2.3438	1.3372	2.4856	3.8359	3.3004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.382	C1	C2	H6	120.900
C2	C1	H4	122.656	C2	C1	H5	120.819
C2	S3	H7	96.876	S3	C2	H6	111.718
H4	C1	H5	116.524

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)