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	hartrees
Energy at 0K	-476.734768
Energy at 298.15K	-476.738415
HF Energy	-476.734768
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3280	8.55
2	A'	3229	3229	2.95
3	A'	3185	3185	2.46
4	A'	2766	2766	9.13
5	A'	1711	1711	38.19
6	A'	1449	1449	7.68
7	A'	1334	1334	1.15
8	A'	1105	1105	26.91
9	A'	921	921	7.19
10	A'	721	721	18.07
11	A'	393	393	4.09
12	A"	1012	1012	23.80
13	A"	909	909	43.27
14	A"	609	609	13.15
15	A"	219	219	20.75

Atom	x (Å)	y (Å)
C1	1.287	1.102
C2	0.000	0.766
S3	-0.692	-0.857
H4	2.083	0.363
H5	1.575	2.148
H6	-0.775	1.528
H7	0.471	-1.530

	C1	C2	S3	H4	H5	H6	H7
C1		1.3302	2.7853	1.0859	1.0843	2.1051	2.7559
C2	1.3302		1.7648	2.1212	2.0952	1.0863	2.3439
S3	2.7853	1.7648		3.0315	3.7645	2.3863	1.3437
H4	1.0859	2.1212	3.0315		1.8551	3.0854	2.4864
H5	1.0843	2.0952	3.7645	1.8551		2.4304	3.8398
H6	2.1051	1.0863	2.3863	3.0854	2.4304		3.3016
H7	2.7559	2.3439	1.3437	2.4864	3.8398	3.3016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.738	C1	C2	H6	120.850
C2	C1	H4	122.469	C2	C1	H5	120.057
C2	S3	H7	96.945	S3	C2	H6	111.412
H4	C1	H5	117.473

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: wB97X-D/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	-0.276
2	C	-0.244
3	S	0.021
4	H	0.124
5	H	0.138
6	H	0.165
7	H	0.072

	x	y	z	Total
	1.031	0.427	0.000	1.116
CHELPG
AIM
ESP

	x	y	z
x	6.859	1.363	0.000
y	1.363	6.548	0.000
z	0.000	0.000	2.737

<r²>	73.226
(<r²>)^1/2	8.557

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: wB97X-D/6-31G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)