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	hartrees
Energy at 0K	-471.426988
Energy at 298.15K	-471.430731
HF Energy	-471.426988
Nuclear repulsion energy	93.226893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3585	3166	0.35
2	A'	3483	3075	1.58
3	A'	3429	3028	28.59
4	A'	3033	2679	17.03
5	A'	1845	1629	27.59
6	A'	1573	1389	7.47
7	A'	1413	1248	0.45
8	A'	1198	1058	20.06
9	A'	1020	901	4.07
10	A'	824	727	11.37
11	A'	401	354	2.16
12	A"	1107	978	9.58
13	A"	948	837	25.06
14	A"	646	570	3.32
15	A"	379	335	12.91

Atom	x (Å)	y (Å)
C1	1.294	1.087
C2	0.000	0.761
S3	-0.700	-0.851
H4	2.089	0.338
H5	1.611	2.131
H6	-0.760	1.550
H7	0.494	-1.494

	C1	C2	S3	H4	H5	H6	H7
C1		1.3340	2.7801	1.0924	1.0913	2.1053	2.7023
C2	1.3340		1.7572	2.1310	2.1152	1.0955	2.3085
S3	2.7801	1.7572		3.0311	3.7728	2.4014	1.3558
H4	1.0924	2.1310	3.0311		1.8556	3.0959	2.4289
H5	1.0913	2.1152	3.7728	1.8556		2.4419	3.7936
H6	2.1053	1.0955	2.4014	3.0959	2.4419		3.2921
H7	2.7023	2.3085	1.3558	2.4289	3.7936	3.2921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.616	C1	C2	H6	119.792
C2	C1	H4	122.548	C2	C1	H5	121.087
C2	S3	H7	94.857	S3	C2	H6	112.592
H4	C1	H5	116.365

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B1B95/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	-0.190
2	C	-0.182
3	S	0.139
4	H	0.067
5	H	0.077
6	H	0.086
7	H	0.002

	x	y	z	Total
	0.363	-0.300	0.000	0.471
CHELPG
AIM
ESP

	x	y	z
x	3.831	0.779	0.000
y	0.779	3.818	0.000
z	0.000	0.000	0.516

<r²>	71.689
(<r²>)^1/2	8.467

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)