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	hartrees
Energy at 0K	-476.549430
Energy at 298.15K	-476.553136
HF Energy	-476.549430
Nuclear repulsion energy	93.284812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3127	6.63
2	A'	3216	3069	2.24
3	A'	3183	3037	2.12
4	A'	2732	2607	7.14
5	A'	1696	1619	41.42
6	A'	1436	1370	7.78
7	A'	1313	1253	1.07
8	A'	1090	1041	28.12
9	A'	903	862	6.66
10	A'	717	685	18.44
11	A'	382	364	3.99
12	A"	1000	954	23.76
13	A"	889	849	44.59
14	A"	610	582	12.85
15	A"	284	271	19.89

Atom	x (Å)	y (Å)
C1	1.286	1.105
C2	0.000	0.761
S3	-0.692	-0.857
H4	2.088	0.372
H5	1.569	2.152
H6	-0.780	1.519
H7	0.471	-1.534

	C1	C2	S3	H4	H5	H6	H7
C1		1.3314	2.7857	1.0861	1.0847	2.1069	2.7624
C2	1.3314		1.7593	2.1237	2.0972	1.0872	2.3432
S3	2.7857	1.7593		3.0391	3.7636	2.3769	1.3458
H4	1.0861	2.1237	3.0391		1.8538	3.0882	2.4999
H5	1.0847	2.0972	3.7636	1.8538		2.4330	3.8466
H6	2.1069	1.0872	2.3769	3.0882	2.4330		3.2994
H7	2.7624	2.3432	1.3458	2.4999	3.8466	3.2994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.125	C1	C2	H6	120.848
C2	C1	H4	122.598	C2	C1	H5	120.109
C2	S3	H7	97.087	S3	C2	H6	111.028
H4	C1	H5	117.293

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: HSEh1PBE/6-31G**

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	-0.279
2	C	-0.260
3	S	0.029
4	H	0.126
5	H	0.139
6	H	0.167
7	H	0.078

	x	y	z	Total
	0.992	0.362	0.000	1.057
CHELPG
AIM
ESP

	x	y	z
x	6.868	1.421	0.000
y	1.421	6.648	0.000
z	0.000	0.000	2.746

<r²>	73.217
(<r²>)^1/2	8.557

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)