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	hartrees
Energy at 0K	-471.106430
Energy at 298.15K	-471.110155
HF Energy	-471.053641
Nuclear repulsion energy	92.681098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3585	3585	0.27
2	A'	3483	3483	1.69
3	A'	3430	3430	19.73
4	A'	3025	3025	20.44
5	A'	1809	1809	17.82
6	A'	1585	1585	8.85
7	A'	1420	1420	0.74
8	A'	1212	1212	20.24
9	A'	1037	1037	3.10
10	A'	812	812	9.56
11	A'	408	408	2.04
12	A"	1112	1112	8.08
13	A"	941	941	20.17
14	A"	639	639	2.49
15	A"	358	358	10.99

Atom	x (Å)	y (Å)
C1	1.304	1.089
C2	0.000	0.770
S3	-0.705	-0.855
H4	2.094	0.330
H5	1.631	2.133
H6	-0.756	1.567
H7	0.489	-1.497

	C1	C2	S3	H4	H5	H6	H7
C1		1.3426	2.7962	1.0951	1.0940	2.1145	2.7111
C2	1.3426		1.7720	2.1396	2.1255	1.0982	2.3192
S3	2.7962	1.7720		3.0400	3.7933	2.4231	1.3560
H4	1.0951	2.1396	3.0400		1.8611	3.1063	2.4316
H5	1.0940	2.1255	3.7933	1.8611		2.4528	3.8051
H6	2.1145	1.0982	2.4231	3.1063	2.4528		3.3072
H7	2.7111	2.3192	1.3560	2.4316	3.8051	3.3072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.191	C1	C2	H6	119.734
C2	C1	H4	122.412	C2	C1	H5	121.124
C2	S3	H7	94.774	S3	C2	H6	113.076
H4	C1	H5	116.464

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)