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	hartrees
Energy at 0K	-476.488509
Energy at 298.15K	-476.492131
HF Energy	-476.488509
Nuclear repulsion energy	92.521513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3149	6.75
2	A'	3118	3083	1.51
3	A'	3093	3058	3.02
4	A'	2624	2594	7.12
5	A'	1608	1590	61.01
6	A'	1382	1366	9.89
7	A'	1267	1253	0.45
8	A'	1049	1038	30.11
9	A'	870	860	6.20
10	A'	686	678	20.72
11	A'	369	365	3.78
12	A"	944	933	28.55
13	A"	828	818	53.06
14	A"	585	578	21.21
15	A"	288	285	14.35

Atom	x (Å)	y (Å)
C1	1.298	1.118
C2	0.000	0.762
S3	-0.698	-0.864
H4	2.112	0.386
H5	1.574	2.176
H6	-0.789	1.522
H7	0.477	-1.546

	C1	C2	S3	H4	H5	H6	H7
C1		1.3465	2.8130	1.0945	1.0930	2.1266	2.7882
C2	1.3465		1.7689	2.1454	2.1157	1.0960	2.3570
S3	2.8130	1.7689		3.0756	3.7946	2.3876	1.3592
H4	1.0945	2.1454	3.0756		1.8690	3.1160	2.5314
H5	1.0930	2.1157	3.7946	1.8690		2.4518	3.8805
H6	2.1266	1.0960	2.3876	3.1160	2.4518		3.3198
H7	2.7882	2.3570	1.3592	2.5314	3.8805	3.3198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.583	C1	C2	H6	120.722
C2	C1	H4	122.684	C2	C1	H5	119.928
C2	S3	H7	96.919	S3	C2	H6	110.694
H4	C1	H5	117.388

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: PBEPBE/6-31+G**

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	-0.329
2	C	-0.203
3	S	-0.049
4	H	0.147
5	H	0.161
6	H	0.189
7	H	0.084

	x	y	z	Total
	0.888	0.203	0.000	0.911
CHELPG
AIM
ESP

	x	y	z
x	7.821	1.820	0.000
y	1.820	7.620	0.000
z	0.000	0.000	4.728

<r²>	74.712
(<r²>)^1/2	8.644

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)