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	hartrees
Energy at 0K	-476.013437
Energy at 298.15K	-476.017092
HF Energy	-475.570576
Nuclear repulsion energy	92.448265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3138	7.45
2	A'	3212	3073	3.52
3	A'	3180	3043	2.56
4	A'	2744	2625	5.81
5	A'	1692	1618	24.48
6	A'	1435	1373	6.92
7	A'	1308	1251	2.47
8	A'	1091	1043	18.50
9	A'	905	865	4.36
10	A'	714	683	14.15
11	A'	379	363	3.65
12	A"	992	949	22.74
13	A"	888	850	33.33
14	A"	596	570	10.63
15	A"	245	235	15.56

Atom	x (Å)	y (Å)
C1	1.303	1.106
C2	0.000	0.771
S3	-0.701	-0.862
H4	2.101	0.355
H5	1.598	2.161
H6	-0.776	1.547
H7	0.474	-1.531

	C1	C2	S3	H4	H5	H6	H7
C1		1.3451	2.8088	1.0965	1.0951	2.1251	2.7641
C2	1.3451		1.7773	2.1422	2.1176	1.0977	2.3500
S3	2.8088	1.7773		3.0552	3.7977	2.4107	1.3516
H4	1.0965	2.1422	3.0552		1.8747	3.1148	2.4909
H5	1.0951	2.1176	3.7977	1.8747		2.4519	3.8588
H6	2.1251	1.0977	2.4107	3.1148	2.4519		3.3221
H7	2.7641	2.3500	1.3516	2.4909	3.8588	3.3221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.651	C1	C2	H6	120.568
C2	C1	H4	122.327	C2	C1	H5	120.057
C2	S3	H7	96.415	S3	C2	H6	111.781
H4	C1	H5	117.616

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)