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	hartrees
Energy at 0K	-476.861841
Energy at 298.15K	-476.865541
HF Energy	-476.861841
Nuclear repulsion energy	93.410159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3221	8.19
2	A'	3159	3159	1.54
3	A'	3134	3134	3.15
4	A'	2677	2677	1.59
5	A'	1645	1645	48.38
6	A'	1436	1436	9.78
7	A'	1311	1311	0.98
8	A'	1085	1085	22.52
9	A'	893	893	4.26
10	A'	700	700	18.77
11	A'	367	367	3.87
12	A"	995	995	19.47
13	A"	890	890	40.98
14	A"	605	605	14.94
15	A"	291	291	11.18

Atom	x (Å)	y (Å)
C1	1.285	1.105
C2	0.000	0.760
S3	-0.691	-0.856
H4	2.084	0.374
H5	1.566	2.150
H6	-0.778	1.514
H7	0.469	-1.535

	C1	C2	S3	H4	H5	H6	H7
C1		1.3306	2.7833	1.0828	1.0820	2.1036	2.7635
C2	1.3306		1.7566	2.1196	2.0942	1.0840	2.3423
S3	2.7833	1.7566		3.0353	3.7584	2.3712	1.3439
H4	1.0828	2.1196	3.0353		1.8494	3.0812	2.5014
H5	1.0820	2.0942	3.7584	1.8494		2.4294	3.8450
H6	2.1036	1.0840	2.3712	3.0812	2.4294		3.2945
H7	2.7635	2.3423	1.3439	2.5014	3.8450	3.2945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.193	C1	C2	H6	120.856
C2	C1	H4	122.529	C2	C1	H5	120.106
C2	S3	H7	97.231	S3	C2	H6	110.951
H4	C1	H5	117.365

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: TPSSh/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	-0.370
2	C	-0.286
3	S	0.006
4	H	0.152
5	H	0.193
6	H	0.212
7	H	0.094

	x	y	z	Total
	0.771	0.299	0.000	0.827
CHELPG
AIM
ESP

	x	y	z
x	7.926	1.695	0.000
y	1.695	7.876	0.000
z	0.000	0.000	4.582

<r²>	73.276
(<r²>)^1/2	8.560

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: TPSSh/cc-pVQZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)