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	hartrees
Energy at 0K	-835.707884
Energy at 298.15K
HF Energy	-835.267012
Nuclear repulsion energy	147.606808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3188	3188	4.28	51.36	0.75	0.86
2	A	3172	3172	4.46	76.51	0.74	0.85
3	A	3064	3064	17.49	190.24	0.02	0.04
4	A	2702	2702	1.51	152.21	0.19	0.33
5	A	1462	1462	7.32	4.16	0.71	0.83
6	A	1445	1445	7.76	5.35	0.75	0.86
7	A	1332	1332	3.75	0.77	0.14	0.24
8	A	975	975	5.31	1.52	0.07	0.14
9	A	972	972	1.92	0.27	0.21	0.34
10	A	877	877	3.43	7.84	0.42	0.59
11	A	719	719	1.20	14.48	0.23	0.37
12	A	509	509	0.58	15.93	0.13	0.23
13	A	312	312	13.30	0.72	0.74	0.85
14	A	239	239	0.18	4.66	0.52	0.68
15	A	176	176	0.28	0.02	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	-1.630	0.712	-0.004
S2	-0.495	-0.720	0.013
S3	1.360	0.243	-0.087
H4	1.548	0.419	1.243
H5	-1.454	1.325	-0.898
H6	-2.649	0.295	-0.037
H7	-1.509	1.315	0.906

	C1	S2	S3	H4	H5	H6	H7
C1		1.8268	3.0279	3.4262	1.0983	1.1016	1.0986
S2	1.8268		2.0931	2.6427	2.4358	2.3815	2.4420
S3	3.0279	2.0931		1.3551	3.1225	4.0101	3.2195
H4	3.4262	2.6427	1.3551		3.7971	4.3894	3.2025
H5	1.0983	2.4358	3.1225	3.7971		1.7974	1.8049
H6	1.1016	2.3815	4.0101	4.3894	1.7974		1.7970
H7	1.0986	2.4420	3.2195	3.2025	1.8049	1.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	100.925	S2	C1	H5	110.261
S2	C1	H6	106.171	S2	C1	H7	110.705
S2	S3	H4	97.764	H5	C1	H6	109.588
H5	C1	H7	110.489	H6	C1	H7	109.529

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

using model chemistry: MP2/daug-cc-pVDZ

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: MP2/daug-cc-pVDZ

States and conformations

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