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	hartrees
Energy at 0K	-835.889812
Energy at 298.15K
HF Energy	-835.312872
Nuclear repulsion energy	149.466192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3179	5.79
2	A	3165	3165	5.13
3	A	3073	3073	16.80
4	A	2703	2703	3.44
5	A	1502	1502	7.23
6	A	1483	1483	7.71
7	A	1372	1372	3.49
8	A	993	993	4.99
9	A	989	989	2.74
10	A	907	907	4.57
11	A	732	732	1.15
12	A	529	529	0.47
13	A	324	324	13.40
14	A	246	246	0.11
15	A	176	176	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.631	0.688	-0.005
S2	-0.477	-0.707	0.014
S3	1.344	0.243	-0.087
H4	1.541	0.437	1.224
H5	-1.482	1.295	-0.894
H6	-2.631	0.257	-0.025
H7	-1.519	1.296	0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.8105	3.0087	3.4103	1.0863	1.0896	1.0867
S2	1.8105		2.0562	2.6157	2.4170	2.3605	2.4212
S3	3.0087	2.0562		1.3397	3.1210	3.9755	3.2025
H4	3.4103	2.6157	1.3397		3.7886	4.3583	3.1954
H5	1.0863	2.4170	3.1210	3.7886		1.7759	1.7826
H6	1.0896	2.3605	3.9755	4.3583	1.7759		1.7750
H7	1.0867	2.4212	3.2025	3.1954	1.7826	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.989	S2	C1	H5	110.604
S2	C1	H6	106.292	S2	C1	H7	110.897
S2	S3	H4	98.551	H5	C1	H6	109.410
H5	C1	H7	110.243	H6	C1	H7	109.302

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)

using model chemistry: CCD/cc-pCVTZ

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 CH3SSH (Hydrogen methyl disulfide)

using model chemistry: CCD/cc-pCVTZ

States and conformations

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)