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	hartrees
Energy at 0K	-23.777366
Energy at 298.15K
HF Energy	-23.777366
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3284	29.13
2	A'	3232	3232	7.83
3	A'	3179	3179	8.99
4	A'	2556	2556	41.91
5	A'	1688	1688	45.66
6	A'	1444	1444	12.62
7	A'	1319	1319	3.51
8	A'	1082	1082	32.41
9	A'	895	895	12.56
10	A'	683	683	21.60
11	A'	381	381	4.19
12	A"	1001	1001	39.25
13	A"	954	954	113.02
14	A"	602	602	17.71
15	A"	86i	86i	37.26

Atom	x (Å)	y (Å)
C1	1.329	1.120
C2	0.000	0.805
S3	-0.714	-0.880
H4	2.120	0.366
H5	1.630	2.171
H6	-0.779	1.568
H7	0.482	-1.572

	C1	C2	S3	H4	H5	H6	H7
C1		1.3654	2.8584	1.0930	1.0937	2.1553	2.8221
C2	1.3654		1.8299	2.1650	2.1266	1.0909	2.4257
S3	2.8584	1.8299		3.0956	3.8473	2.4490	1.3818
H4	1.0930	2.1650	3.0956		1.8707	3.1389	2.5377
H5	1.0937	2.1266	3.8473	1.8707		2.4835	3.9156
H6	2.1553	1.0909	2.4490	3.1389	2.4835		3.3845
H7	2.8221	2.4257	1.3818	2.5377	3.9156	3.3845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	126.289	C1	C2	H6	122.279
C2	C1	H4	123.065	C2	C1	H5	119.304
C2	S3	H7	97.112	S3	C2	H6	111.433
H4	C1	H5	117.630

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: wB97X-D/CEP-31G

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	-0.380
3	S	0.001
4	H	0.219
5	H	0.171
6	H	0.266
7	H	0.051

	x	y	z	Total
	1.445	0.547	0.000	1.545
CHELPG
AIM
ESP

	x	y	z
x	7.009	1.594	0.000
y	1.594	6.473	0.000
z	0.000	0.000	2.010

<r²>	55.982
(<r²>)^1/2	7.482

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)