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	hartrees
Energy at 0K	-476.530992
Energy at 298.15K	-476.534701
HF Energy	-476.530992
Nuclear repulsion energy	93.257641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3130	5.33
2	A'	3212	3068	1.41
3	A'	3181	3039	2.28
4	A'	2732	2610	4.77
5	A'	1681	1606	56.93
6	A'	1431	1367	9.19
7	A'	1312	1253	0.64
8	A'	1089	1041	31.76
9	A'	904	863	7.32
10	A'	719	687	20.24
11	A'	382	365	4.12
12	A"	994	949	26.62
13	A"	892	852	58.96
14	A"	610	583	20.69
15	A"	284	271	15.90

Atom	x (Å)	y (Å)
C1	1.289	1.106
C2	0.000	0.758
S3	-0.693	-0.856
H4	2.092	0.375
H5	1.568	2.155
H6	-0.778	1.519
H7	0.469	-1.536

	C1	C2	S3	H4	H5	H6	H7
C1		1.3346	2.7883	1.0866	1.0852	2.1078	2.7660
C2	1.3346		1.7569	2.1273	2.0992	1.0879	2.3417
S3	2.7883	1.7569		3.0448	3.7647	2.3762	1.3456
H4	1.0866	2.1273	3.0448		1.8557	3.0902	2.5071
H5	1.0852	2.0992	3.7647	1.8557		2.4307	3.8505
H6	2.1078	1.0879	2.3762	3.0902	2.4307		3.2991
H7	2.7660	2.3417	1.3456	2.5071	3.8505	3.2991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.305	C1	C2	H6	120.597
C2	C1	H4	122.612	C2	C1	H5	119.988
C2	S3	H7	97.120	S3	C2	H6	111.098
H4	C1	H5	117.400

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: PBE1PBE/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	-0.311
2	C	-0.222
3	S	-0.065
4	H	0.153
5	H	0.168
6	H	0.197
7	H	0.081

	x	y	z	Total
	0.972	0.291	0.000	1.015
CHELPG
AIM
ESP

	x	y	z
x	7.522	1.673	0.000
y	1.673	7.167	0.000
z	0.000	0.000	4.513

<r²>	73.646
(<r²>)^1/2	8.582

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)