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	hartrees
Energy at 0K	-475.622429
Energy at 298.15K	-475.626260
HF Energy	-475.622429
Nuclear repulsion energy	93.889673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3370	3061	9.04
2	A'	3320	3016	1.92
3	A'	3285	2985	3.04
4	A'	2857	2596	0.77
5	A'	1795	1631	45.50
6	A'	1548	1407	8.66
7	A'	1416	1287	2.09
8	A'	1177	1069	24.56
9	A'	975	886	6.05
10	A'	745	676	17.51
11	A'	405	368	4.13
12	A"	1104	1003	13.52
13	A"	1037	942	57.43
14	A"	659	598	16.44
15	A"	259	235	12.61

Atom	x (Å)	y (Å)
C1	1.269	1.106
C2	0.000	0.765
S3	-0.682	-0.857
H4	2.062	0.383
H5	1.548	2.141
H6	-0.768	1.515
H7	0.453	-1.545

	C1	C2	S3	H4	H5	H6	H7
C1		1.3139	2.7675	1.0733	1.0725	2.0773	2.7730
C2	1.3139		1.7595	2.0970	2.0717	1.0738	2.3533
S3	2.7675	1.7595		3.0108	3.7369	2.3744	1.3270
H4	1.0733	2.0970	3.0108		1.8322	3.0479	2.5102
H5	1.0725	2.0717	3.7369	1.8322		2.3989	3.8450
H6	2.0773	1.0738	2.3744	3.0479	2.3989		3.2947
H7	2.7730	2.3533	1.3270	2.5102	3.8450	3.2947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.848	C1	C2	H6	120.588
C2	C1	H4	122.588	C2	C1	H5	120.148
C2	S3	H7	98.389	S3	C2	H6	111.564
H4	C1	H5	117.264

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: HF/aug-cc-pVQZ

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	-0.797
2	C	-0.518
3	S	0.048
4	H	0.414
5	H	0.355
6	H	0.428
7	H	0.071

	x	y	z	Total
	0.964	0.464	0.000	1.069
CHELPG
AIM
ESP

	x	y	z
x	7.966	1.567	0.000
y	1.567	7.677	0.000
z	0.000	0.000	5.353

<r²>	73.013
(<r²>)^1/2	8.545

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)