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	hartrees
Energy at 0K	-476.581644
Energy at 298.15K	-476.585340
HF Energy	-476.581644
Nuclear repulsion energy	93.333514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3118	10.44
2	A'	3193	3064	2.48
3	A'	3159	3031	3.87
4	A'	2666	2558	6.77
5	A'	1682	1614	51.22
6	A'	1435	1377	8.74
7	A'	1319	1266	0.75
8	A'	1096	1052	31.38
9	A'	909	873	6.61
10	A'	710	682	21.01
11	A'	382	367	4.28
12	A"	992	952	28.32
13	A"	876	841	53.69
14	A"	604	580	19.61
15	A"	280	268	20.51

Atom	x (Å)	y (Å)
C1	1.281	1.109
C2	0.000	0.759
S3	-0.690	-0.858
H4	2.089	0.383
H5	1.560	2.157
H6	-0.783	1.513
H7	0.479	-1.535

	C1	C2	S3	H4	H5	H6	H7
C1		1.3284	2.7849	1.0858	1.0843	2.1031	2.7637
C2	1.3284		1.7581	2.1224	2.0948	1.0864	2.3438
S3	2.7849	1.7581		3.0431	3.7620	2.3726	1.3504
H4	1.0858	2.1224	3.0431		1.8512	3.0855	2.5046
H5	1.0843	2.0948	3.7620	1.8512		2.4295	3.8475
H6	2.1031	1.0864	2.3726	3.0855	2.4295		3.2987
H7	2.7637	2.3438	1.3504	2.5046	3.8475	3.2987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.379	C1	C2	H6	120.794
C2	C1	H4	122.754	C2	C1	H5	120.162
C2	S3	H7	97.002	S3	C2	H6	110.826
H4	C1	H5	117.084

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: HSEh1PBE/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	-0.458
2	C	-0.364
3	S	-0.045
4	H	0.218
5	H	0.230
6	H	0.254
7	H	0.165

	x	y	z	Total
	0.994	0.310	0.000	1.041
CHELPG
AIM
ESP

	x	y	z
x	7.232	1.607	0.000
y	1.607	6.967	0.000
z	0.000	0.000	2.906

<r²>	73.492
(<r²>)^1/2	8.573

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)