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	hartrees
Energy at 0K	-476.541534
Energy at 298.15K
HF Energy	-476.400150
Nuclear repulsion energy	93.059876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3289	7.59
2	A'	3226	3226	2.67
3	A'	3194	3194	2.74
4	A'	2742	2742	6.61
5	A'	1665	1665	46.46
6	A'	1451	1451	10.75
7	A'	1326	1326	0.64
8	A'	1101	1101	30.84
9	A'	917	917	7.43
10	A'	710	710	19.27
11	A'	383	383	4.05
12	A"	996	996	28.81
13	A"	879	879	51.39
14	A"	603	603	19.27
15	A"	262	262	14.38

Atom	x (Å)	y (Å)
C1	1.294	1.107
C2	0.000	0.763
S3	-0.695	-0.859
H4	2.091	0.373
H5	1.577	2.152
H6	-0.773	1.524
H7	0.466	-1.531

	C1	C2	S3	H4	H5	H6	H7
C1		1.3387	2.7966	1.0835	1.0820	2.1081	2.7647
C2	1.3387		1.7650	2.1270	2.1005	1.0845	2.3408
S3	2.7966	1.7650		3.0463	3.7713	2.3846	1.3411
H4	1.0835	2.1270	3.0463		1.8512	3.0862	2.5033
H5	1.0820	2.1005	3.7713	1.8512		2.4313	3.8461
H6	2.1081	1.0845	2.3846	3.0862	2.4313		3.2965
H7	2.7647	2.3408	1.3411	2.5033	3.8461	3.2965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.072	C1	C2	H6	120.555
C2	C1	H4	122.487	C2	C1	H5	120.023
C2	S3	H7	96.864	S3	C2	H6	111.372
H4	C1	H5	117.490

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)