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	hartrees
Energy at 0K	-476.795631
Energy at 298.15K	-476.799296
HF Energy	-476.795631
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3115	5.61
2	A'	3205	3062	1.34
3	A'	3169	3027	1.92
4	A'	2744	2621	1.23
5	A'	1687	1611	49.62
6	A'	1443	1378	7.78
7	A'	1331	1272	0.78
8	A'	1102	1053	22.45
9	A'	917	876	4.99
10	A'	718	686	18.28
11	A'	390	373	3.94
12	A"	1013	968	19.51
13	A"	919	878	46.56
14	A"	610	582	17.40
15	A"	228	218	12.84

Atom	x (Å)	y (Å)
C1	1.281	1.098
C2	0.000	0.759
S3	-0.689	-0.852
H4	2.074	0.362
H5	1.565	2.141
H6	-0.772	1.519
H7	0.468	-1.527

	C1	C2	S3	H4	H5	H6	H7
C1		1.3248	2.7714	1.0824	1.0811	2.0952	2.7482
C2	1.3248		1.7517	2.1119	2.0884	1.0835	2.3335
S3	2.7714	1.7517		3.0181	3.7468	2.3725	1.3396
H4	1.0824	2.1119	3.0181		1.8502	3.0724	2.4799
H5	1.0811	2.0884	3.7468	1.8502		2.4186	3.8289
H6	2.0952	1.0835	2.3725	3.0724	2.4186		3.2891
H7	2.7482	2.3335	1.3396	2.4799	3.8289	3.2891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.995	C1	C2	H6	120.586
C2	C1	H4	122.327	C2	C1	H5	120.117
C2	S3	H7	97.123	S3	C2	H6	111.420
H4	C1	H5	117.556

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: wB97X-D/Def2TZVPP

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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Number	Element	Mulliken
1	C	-0.249
2	C	-0.037
3	S	-0.096
4	H	0.078
5	H	0.101
6	H	0.103
7	H	0.100

	x	y	z	Total
	0.811	0.315	0.000	0.870
CHELPG
AIM
ESP

	x	y	z
x	7.683	1.604	0.000
y	1.604	7.407	0.000
z	0.000	0.000	4.226

<r²>	72.814
(<r²>)^1/2	8.533

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)