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	hartrees
Energy at 0K	-474.334676
Energy at 298.15K	-474.338332
HF Energy	-474.334676
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3285	4.36
2	A'	3262	3262	1.17
3	A'	3194	3194	0.69
4	A'	2574	2574	20.77
5	A'	1711	1711	34.78
6	A'	1494	1494	10.04
7	A'	1348	1348	3.68
8	A'	1126	1126	24.71
9	A'	919	919	12.61
10	A'	654	654	22.70
11	A'	398	398	3.79
12	A"	1034	1034	21.19
13	A"	980	980	83.80
14	A"	625	625	18.30
15	A"	216	216	33.43

Atom	x (Å)	y (Å)
C1	1.285	1.125
C2	0.000	0.805
S3	-0.693	-0.883
H4	2.074	0.381
H5	1.590	2.165
H6	-0.787	1.549
H7	0.502	-1.549

	C1	C2	S3	H4	H5	H6	H7
C1		1.3242	2.8185	1.0851	1.0841	2.1144	2.7861
C2	1.3242		1.8242	2.1173	2.0929	1.0829	2.4062
S3	2.8185	1.8242		3.0422	3.8084	2.4333	1.3679
H4	1.0851	2.1173	3.0422		1.8490	3.0903	2.4891
H5	1.0841	2.0929	3.8084	1.8490		2.4556	3.8702
H6	2.1144	1.0829	2.4333	3.0903	2.4556		3.3547
H7	2.7861	2.4062	1.3679	2.4891	3.8702	3.3547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	126.334	C1	C2	H6	122.586
C2	C1	H4	122.679	C2	C1	H5	120.369
C2	S3	H7	96.803	S3	C2	H6	111.080
H4	C1	H5	116.952

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: wB97X-D/3-21G

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	-0.411
2	C	-0.522
3	S	0.128
4	H	0.214
5	H	0.233
6	H	0.266
7	H	0.091

	x	y	z	Total
	1.472	0.643	0.000	1.607
CHELPG
AIM
ESP

	x	y	z
x	6.446	1.190	0.000
y	1.190	6.284	0.000
z	0.000	0.000	1.792

<r²>	75.167
(<r²>)^1/2	8.670

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)