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	hartrees
Energy at 0K	-476.682060
Energy at 298.15K	-476.685659
HF Energy	-476.682060
Nuclear repulsion energy	90.978116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3207	18.27
2	A'	3172	3172	1.66
3	A'	3114	3114	3.84
4	A'	2471	2471	43.20
5	A'	1638	1638	42.58
6	A'	1436	1436	11.15
7	A'	1307	1307	2.76
8	A'	1073	1073	25.16
9	A'	862	862	8.96
10	A'	629	629	23.77
11	A'	377	377	3.25
12	A"	972	972	37.13
13	A"	888	888	52.54
14	A"	592	592	15.25
15	A"	261	261	26.88

Atom	x (Å)	y (Å)
C1	1.298	1.148
C2	0.000	0.805
S3	-0.699	-0.894
H4	2.105	0.415
H5	1.587	2.199
H6	-0.803	1.541
H7	0.509	-1.567

	C1	C2	S3	H4	H5	H6	H7
C1		1.3422	2.8558	1.0902	1.0898	2.1375	2.8273
C2	1.3422		1.8374	2.1409	2.1115	1.0890	2.4266
S3	2.8558	1.8374		3.0944	3.8454	2.4368	1.3830
H4	1.0902	2.1409	3.0944		1.8575	3.1185	2.5449
H5	1.0898	2.1115	3.8454	1.8575		2.4788	3.9171
H6	2.1375	1.0890	2.4368	3.1185	2.4788		3.3736
H7	2.8273	2.4266	1.3830	2.5449	3.9171	3.3736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.139	C1	C2	H6	122.752
C2	C1	H4	122.989	C2	C1	H5	120.145
C2	S3	H7	96.778	S3	C2	H6	110.109
H4	C1	H5	116.866

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B97D3/6-31G

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	-0.278
2	C	-0.354
3	S	0.101
4	H	0.139
5	H	0.152
6	H	0.181
7	H	0.060

	x	y	z	Total
	1.274	0.536	0.000	1.382
CHELPG
AIM
ESP

	x	y	z
x	6.896	1.450	0.000
y	1.450	6.891	0.000
z	0.000	0.000	2.307

<r²>	76.362
(<r²>)^1/2	8.739

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)