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	hartrees
Energy at 0K	-471.213955
Energy at 298.15K	-471.217717
HF Energy	-471.213955
Nuclear repulsion energy	93.171340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3595	3175	0.30
2	A'	3493	3085	1.57
3	A'	3439	3037	28.90
4	A'	3035	2680	17.90
5	A'	1844	1628	28.77
6	A'	1579	1395	7.71
7	A'	1418	1253	0.42
8	A'	1209	1067	20.00
9	A'	1031	910	4.10
10	A'	826	729	11.81
11	A'	411	363	2.15
12	A"	1108	979	9.98
13	A"	944	834	25.55
14	A"	646	570	3.46
15	A"	384	339	13.09

Atom	x (Å)	y (Å)
C1	1.296	1.086
C2	0.000	0.762
S3	-0.701	-0.850
H4	2.089	0.334
H5	1.616	2.129
H6	-0.760	1.552
H7	0.494	-1.494

	C1	C2	S3	H4	H5	H6	H7
C1		1.3353	2.7809	1.0930	1.0919	2.1075	2.7009
C2	1.3353		1.7583	2.1325	2.1165	1.0962	2.3094
S3	2.7809	1.7583		3.0308	3.7743	2.4036	1.3573
H4	1.0930	2.1325	3.0308		1.8568	3.0983	2.4256
H5	1.0919	2.1165	3.7743	1.8568		2.4443	3.7927
H6	2.1075	1.0962	2.4036	3.0983	2.4443		3.2942
H7	2.7009	2.3094	1.3573	2.4256	3.7927	3.2942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.505	C1	C2	H6	119.848
C2	C1	H4	122.539	C2	C1	H5	121.064
C2	S3	H7	94.805	S3	C2	H6	112.646
H4	C1	H5	116.397

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: HSEh1PBE/STO-3G

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	-0.195
2	C	-0.183
3	S	0.138
4	H	0.069
5	H	0.079
6	H	0.087
7	H	0.004

	x	y	z	Total
	0.353	-0.315	0.000	0.473
CHELPG
AIM
ESP

	x	y	z
x	3.832	0.787	0.000
y	0.787	3.808	0.000
z	0.000	0.000	0.517

<r²>	71.725
(<r²>)^1/2	8.469

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)