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	hartrees
Energy at 0K	-475.741703
Energy at 298.15K	-475.745258
HF Energy	-475.472035
Nuclear repulsion energy	90.475692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3094	17.71
2	A'	3200	3070	1.13
3	A'	3137	3010	4.14
4	A'	2449	2350	42.21
5	A'	1673	1605	13.37
6	A'	1474	1415	8.20
7	A'	1338	1284	4.24
8	A'	1099	1055	18.01
9	A'	879	844	11.26
10	A'	644	618	10.96
11	A'	377	362	3.66
12	A"	998	958	35.38
13	A"	935	897	39.80
14	A"	596	572	13.15
15	A"	201	193	26.86

Atom	x (Å)	y (Å)
C1	1.303	1.155
C2	0.000	0.814
S3	-0.703	-0.901
H4	2.109	0.417
H5	1.604	2.205
H6	-0.798	1.556
H7	0.510	-1.570

	C1	C2	S3	H4	H5	H6	H7
C1		1.3472	2.8727	1.0929	1.0920	2.1395	2.8382
C2	1.3472		1.8533	2.1464	2.1232	1.0905	2.4376
S3	2.8727	1.8533		3.1061	3.8689	2.4596	1.3851
H4	1.0929	2.1464	3.1061		1.8578	3.1230	2.5511
H5	1.0920	2.1232	3.8689	1.8578		2.4880	3.9303
H6	2.1395	1.0905	2.4596	3.1230	2.4880		3.3892
H7	2.8382	2.4376	1.3851	2.5511	3.9303	3.3892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	126.974	C1	C2	H6	122.373
C2	C1	H4	122.855	C2	C1	H5	120.661
C2	S3	H7	96.586	S3	C2	H6	110.653
H4	C1	H5	116.484

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCD/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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All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)