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	hartrees
Energy at 0K	-473.422723
Energy at 298.15K	-473.426300
HF Energy	-473.151789
Nuclear repulsion energy	90.740682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3134	10.15
2	A'	3200	3112	0.60
3	A'	3140	3053	2.40
4	A'	2392	2326	27.70
5	A'	1674	1628	12.83
6	A'	1496	1454	8.45
7	A'	1338	1301	5.53
8	A'	1117	1086	16.56
9	A'	896	871	11.17
10	A'	625	608	11.72
11	A'	380	369	3.52
12	A"	1010	983	30.04
13	A"	958	932	45.60
14	A"	604	588	14.11
15	A"	203	198	27.49

Atom	x (Å)	y (Å)
C1	1.295	1.149
C2	0.000	0.819
S3	-0.699	-0.901
H4	2.091	0.405
H5	1.605	2.193
H6	-0.793	1.561
H7	0.515	-1.558

	C1	C2	S3	H4	H5	H6	H7
C1		1.3364	2.8597	1.0892	1.0885	2.1288	2.8175
C2	1.3364		1.8563	2.1314	2.1124	1.0866	2.4323
S3	2.8597	1.8563		3.0806	3.8570	2.4638	1.3805
H4	1.0892	2.1314	3.0806		1.8520	3.1073	2.5181
H5	1.0885	2.1124	3.8570	1.8520		2.4800	3.9061
H6	2.1288	1.0866	2.4638	3.1073	2.4800		3.3828
H7	2.8175	2.4323	1.3805	2.5181	3.9061	3.3828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	126.424	C1	C2	H6	122.607
C2	C1	H4	122.647	C2	C1	H5	120.836
C2	S3	H7	96.323	S3	C2	H6	110.970
H4	C1	H5	116.517

All results from a given calculation for CH₂CHSH (Ethenethiol)

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

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)