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	hartrees
Energy at 0K	-23.786407
Energy at 298.15K
HF Energy	-23.786407
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3246	19.07
2	A'	3186	3186	6.09
3	A'	3131	3131	6.87
4	A'	2555	2555	21.33
5	A'	1658	1658	52.38
6	A'	1442	1442	12.63
7	A'	1319	1319	2.49
8	A'	1089	1089	30.10
9	A'	900	900	9.22
10	A'	680	680	19.63
11	A'	385	385	3.84
12	A"	1006	1006	36.45
13	A"	942	942	76.75
14	A"	604	604	20.48
15	A"	80i	80i	27.52

Atom	x (Å)	y (Å)
C1	1.306	1.134
C2	0.000	0.803
S3	-0.703	-0.886
H4	2.102	0.391
H5	1.600	2.181
H6	-0.786	1.553
H7	0.503	-1.569

	C1	C2	S3	H4	H5	H6	H7
C1		1.3469	2.8490	1.0886	1.0873	2.1338	2.8195
C2	1.3469		1.8300	2.1417	2.1112	1.0869	2.4249
S3	2.8490	1.8300		3.0823	3.8354	2.4410	1.3860
H4	1.0886	2.1417	3.0823		1.8582	3.1132	2.5296
H5	1.0873	2.1112	3.8354	1.8582		2.4676	3.9067
H6	2.1338	1.0869	2.4410	3.1132	2.4676		3.3781
H7	2.8195	2.4249	1.3860	2.5296	3.9067	3.3781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	126.813	C1	C2	H6	122.143
C2	C1	H4	122.782	C2	C1	H5	119.922
C2	S3	H7	96.908	S3	C2	H6	111.045
H4	C1	H5	117.295

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: wB97X-D/CEP-121G

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	-0.316
2	C	-0.326
3	S	0.065
4	H	0.152
5	H	0.157
6	H	0.200
7	H	0.068

	x	y	z	Total
	1.326	0.541	0.000	1.432
CHELPG
AIM
ESP

	x	y	z
x	7.369	1.476	0.000
y	1.476	6.978	0.000
z	0.000	0.000	3.017

<r²>	55.744
(<r²>)^1/2	7.466

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)