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	hartrees
Energy at 0K	-476.831058
Energy at 298.15K	-476.834733
HF Energy	-476.831058
Nuclear repulsion energy	92.941955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3115	9.36
2	A'	3167	3062	2.37
3	A'	3136	3032	2.85
4	A'	2665	2577	4.44
5	A'	1656	1601	50.14
6	A'	1428	1380	9.38
7	A'	1312	1269	1.26
8	A'	1083	1047	28.87
9	A'	899	870	6.38
10	A'	683	661	22.13
11	A'	379	366	3.84
12	A"	990	957	25.18
13	A"	889	860	46.58
14	A"	601	581	17.83
15	A"	269	260	17.43

Atom	x (Å)	y (Å)
C1	1.282	1.121
C2	0.000	0.767
S3	-0.689	-0.867
H4	2.090	0.399
H5	1.555	2.170
H6	-0.787	1.514
H7	0.478	-1.543

	C1	C2	S3	H4	H5	H6	H7
C1		1.3298	2.7994	1.0843	1.0833	2.1057	2.7830
C2	1.3298		1.7730	2.1221	2.0944	1.0851	2.3590
S3	2.7994	1.7730		3.0535	3.7758	2.3825	1.3494
H4	1.0843	2.1221	3.0535		1.8500	3.0856	2.5233
H5	1.0833	2.0944	3.7758	1.8500		2.4325	3.8658
H6	2.1057	1.0851	2.3825	3.0856	2.4325		3.3086
H7	2.7830	2.3590	1.3494	2.5233	3.8658	3.3086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.337	C1	C2	H6	121.037
C2	C1	H4	122.729	C2	C1	H5	120.095
C2	S3	H7	97.211	S3	C2	H6	110.626
H4	C1	H5	117.176

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B3LYP/6-311G**

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	-0.205
2	C	-0.280
3	S	0.045
4	H	0.106
5	H	0.118
6	H	0.147
7	H	0.070

	x	y	z	Total
	0.933	0.323	0.000	0.987
CHELPG
AIM
ESP

	x	y	z
x	7.345	1.621	0.000
y	1.621	7.163	0.000
z	0.000	0.000	3.038

<r²>	74.145
(<r²>)^1/2	8.611

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)