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	hartrees
Energy at 0K	-476.790710
Energy at 298.15K	-476.794382
HF Energy	-476.790710
Nuclear repulsion energy	92.800665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3124	8.39
2	A'	3185	3066	2.18
3	A'	3156	3038	2.82
4	A'	2677	2577	7.88
5	A'	1659	1597	55.06
6	A'	1432	1378	10.50
7	A'	1311	1262	0.82
8	A'	1086	1045	30.36
9	A'	901	867	7.02
10	A'	691	666	21.22
11	A'	379	365	3.84
12	A"	986	949	25.69
13	A"	885	852	53.34
14	A"	602	580	20.01
15	A"	273	263	14.39

Atom	x (Å)	y (Å)
C1	1.290	1.119
C2	0.000	0.765
S3	-0.693	-0.865
H4	2.098	0.393
H5	1.565	2.169
H6	-0.783	1.520
H7	0.472	-1.546

	C1	C2	S3	H4	H5	H6	H7
C1		1.3371	2.8047	1.0865	1.0853	2.1112	2.7876
C2	1.3371		1.7715	2.1305	2.1021	1.0876	2.3589
S3	2.8047	1.7715		3.0610	3.7818	2.3866	1.3491
H4	1.0865	2.1305	3.0610		1.8541	3.0936	2.5303
H5	1.0853	2.1021	3.7818	1.8541		2.4363	3.8723
H6	2.1112	1.0876	2.3866	3.0936	2.4363		3.3127
H7	2.7876	2.3589	1.3491	2.5303	3.8723	3.3127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.363	C1	C2	H6	120.736
C2	C1	H4	122.720	C2	C1	H5	120.042
C2	S3	H7	97.286	S3	C2	H6	110.901
H4	C1	H5	117.238

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.192
3	S	-0.040
4	H	0.131
5	H	0.144
6	H	0.168
7	H	0.067

	x	y	z	Total
	0.931	0.287	0.000	0.974
CHELPG
AIM
ESP

	x	y	z
x	7.634	1.724	0.000
y	1.724	7.337	0.000
z	0.000	0.000	4.662

<r²>	74.433
(<r²>)^1/2	8.627

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)