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	hartrees
Energy at 0K	-474.216701
Energy at 298.15K
HF Energy	-474.109611
Nuclear repulsion energy	93.085589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3268	7.75
2	A'	3207	3207	2.34
3	A'	3182	3182	2.11
4	A'	2726	2726	7.64
5	A'	1666	1666	26.56
6	A'	1501	1501	8.29
7	A'	1367	1367	0.37
8	A'	1143	1143	24.79
9	A'	952	952	8.59
10	A'	697	697	16.35
11	A'	399	399	3.47
12	A"	1027	1027	25.21
13	A"	937	937	58.37
14	A"	623	623	15.49
15	A"	271	271	20.71

Atom	x (Å)	y (Å)
C1	1.294	1.100
C2	0.000	0.767
S3	-0.696	-0.857
H4	2.085	0.360
H5	1.594	2.141
H6	-0.770	1.531
H7	0.468	-1.526

	C1	C2	S3	H4	H5	H6	H7
C1		1.3358	2.7912	1.0839	1.0827	2.1080	2.7533
C2	1.3358		1.7671	2.1246	2.1040	1.0846	2.3408
S3	2.7912	1.7671		3.0360	3.7723	2.3892	1.3430
H4	1.0839	2.1246	3.0360		1.8470	3.0860	2.4846
H5	1.0827	2.1040	3.7723	1.8470		2.4413	3.8358
H6	2.1080	1.0846	2.3892	3.0860	2.4413		3.2986
H7	2.7533	2.3408	1.3430	2.4846	3.8358	3.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.645	C1	C2	H6	120.782
C2	C1	H4	122.474	C2	C1	H5	120.556
C2	S3	H7	96.689	S3	C2	H6	111.573
H4	C1	H5	116.970

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)