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	hartrees
Energy at 0K	-835.874011
Energy at 298.15K
HF Energy	-835.299292
Nuclear repulsion energy	149.558086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3182	5.73
2	A	3168	3168	5.20
3	A	3077	3077	16.52
4	A	2710	2710	3.34
5	A	1503	1503	7.41
6	A	1483	1483	7.83
7	A	1376	1376	3.22
8	A	992	992	4.17
9	A	988	988	3.39
10	A	908	908	4.54
11	A	732	732	1.17
12	A	528	528	0.46
13	A	326	326	13.37
14	A	246	246	0.12
15	A	177	177	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.629	0.688	-0.005
S2	-0.477	-0.706	0.014
S3	1.343	0.243	-0.087
H4	1.539	0.437	1.223
H5	-1.482	1.293	-0.895
H6	-2.629	0.256	-0.023
H7	-1.516	1.297	0.887

	C1	S2	S3	H4	H5	H6	H7
C1		1.8095	3.0068	3.4074	1.0860	1.0893	1.0864
S2	1.8095		2.0550	2.6135	2.4157	2.3585	2.4196
S3	3.0068	2.0550		1.3384	3.1200	3.9730	3.1987
H4	3.4074	2.6135	1.3384		3.7869	4.3542	3.1910
H5	1.0860	2.4157	3.1200	3.7869		1.7759	1.7823
H6	1.0893	2.3585	3.9730	4.3542	1.7759		1.7751
H7	1.0864	2.4196	3.1987	3.1910	1.7823	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.982	S2	C1	H5	110.593
S2	C1	H6	106.231	S2	C1	H7	110.861
S2	S3	H4	98.534	H5	C1	H6	109.454
H5	C1	H7	110.255	H6	C1	H7	109.354

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

using model chemistry: CCD/Def2TZVPP

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/Def2TZVPP

States and conformations

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