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	hartrees
Energy at 0K	-471.106424
Energy at 298.15K
HF Energy	-471.053637
Nuclear repulsion energy	92.681430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3584	3584	0.27
2	A'	3483	3483	1.71
3	A'	3429	3429	19.73
4	A'	3019	3019	20.44
5	A'	1809	1809	17.85
6	A'	1585	1585	8.84
7	A'	1420	1420	0.74
8	A'	1211	1211	20.25
9	A'	1035	1035	3.14
10	A'	812	812	9.52
11	A'	407	407	2.05
12	A"	1112	1112	8.07
13	A"	941	941	20.19
14	A"	638	638	2.47
15	A"	352	352	11.00

Atom	x (Å)	y (Å)
C1	1.304	1.089
C2	0.000	0.770
S3	-0.705	-0.856
H4	2.094	0.331
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	2.7963	1.0951	1.0940	2.1144	2.7114
C2	1.3426		1.7719	2.1397	2.1255	1.0982	2.3192
S3	2.7963	1.7719		3.0402	3.7933	2.4229	1.3559
H4	1.0951	2.1397	3.0402		1.8611	3.1062	2.4321
H5	1.0940	2.1255	3.7933	1.8611		2.4526	3.8054
H6	2.1144	1.0982	2.4229	3.1062	2.4526		3.3071
H7	2.7114	2.3192	1.3559	2.4321	3.8054	3.3071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.204	C1	C2	H6	119.726
C2	C1	H4	122.413	C2	C1	H5	121.122
C2	S3	H7	94.781	S3	C2	H6	113.070
H4	C1	H5	116.465

All results from a given calculation for CH₂CHSH (Ethenethiol)

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

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)