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	hartrees
Energy at 0K	-476.601359
Energy at 298.15K
HF Energy	-476.441995
Nuclear repulsion energy	93.092810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3264	7.20
2	A'	3203	3203	2.26
3	A'	3172	3172	2.49
4	A'	2703	2703	4.31
5	A'	1657	1657	45.63
6	A'	1447	1447	10.09
7	A'	1324	1324	1.20
8	A'	1095	1095	26.43
9	A'	907	907	6.23
10	A'	700	700	19.89
11	A'	383	383	3.91
12	A"	988	988	32.93
13	A"	851	851	42.48
14	A"	593	593	16.39
15	A"	261	261	14.25

Atom	x (Å)	y (Å)
C1	1.285	1.112
C2	0.000	0.767
S3	-0.691	-0.863
H4	2.083	0.383
H5	1.565	2.156
H6	-0.776	1.521
H7	0.478	-1.530

	C1	C2	S3	H4	H5	H6	H7
C1		1.3305	2.7939	1.0816	1.0803	2.1012	2.7625
C2	1.3305		1.7702	2.1186	2.0922	1.0824	2.3459
S3	2.7939	1.7702		3.0415	3.7684	2.3858	1.3462
H4	1.0816	2.1186	3.0415		1.8472	3.0779	2.4971
H5	1.0803	2.0922	3.7684	1.8472		2.4252	3.8423
H6	2.1012	1.0824	2.3858	3.0779	2.4252		3.2989
H7	2.7625	2.3459	1.3462	2.4971	3.8423	3.2989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.032	C1	C2	H6	120.752
C2	C1	H4	122.541	C2	C1	H5	120.062
C2	S3	H7	96.718	S3	C2	H6	111.215
H4	C1	H5	117.397

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)