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	hartrees
Energy at 0K	-28.084070
Energy at 298.15K
HF Energy	-27.692400
Nuclear repulsion energy	38.307233

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	3200	3049	9.14	56.47	0.75	0.86
2	A	3187	3036	8.16	86.72	0.74	0.85
3	A	3074	2929	24.47	142.66	0.02	0.03
4	A	2667	2541	8.97	158.88	0.30	0.46
5	A	1513	1442	10.50	11.07	0.74	0.85
6	A	1492	1422	10.58	13.95	0.75	0.86
7	A	1407	1341	2.99	2.43	0.51	0.67
8	A	1009	961	4.46	5.19	0.68	0.81
9	A	1006	959	7.26	5.64	0.64	0.78
10	A	909	866	6.06	23.41	0.62	0.77
11	A	736	701	1.19	15.30	0.32	0.48
12	A	534	509	0.72	16.36	0.24	0.39
13	A	306	291	22.06	5.91	0.75	0.86
14	A	245	233	0.15	4.03	0.60	0.75
15	A	183	174	0.82	0.06	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.637	0.703	-0.004
S2	-0.486	-0.718	0.014
S3	1.354	0.246	-0.088
H4	1.566	0.430	1.239
H5	-1.471	1.317	-0.892
H6	-2.646	0.281	-0.034
H7	-1.522	1.309	0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8286	3.0273	3.4462	1.0917	1.0947	1.0924
S2	1.8286		2.0799	2.6509	2.4353	2.3803	2.4416
S3	3.0273	2.0799		1.3559	3.1273	4.0014	3.2214
H4	3.4462	2.6509	1.3559		3.8144	4.4026	3.2286
H5	1.0917	2.4353	3.1273	3.8144		1.7863	1.7903
H6	1.0947	2.3803	4.0014	4.4026	1.7863		1.7854
H7	1.0924	2.4416	3.2214	3.2286	1.7903	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.337	S2	C1	H5	110.453
S2	C1	H6	106.303	S2	C1	H7	110.886
S2	S3	H4	98.804	H5	C1	H6	109.567
H5	C1	H7	110.111	H6	C1	H7	109.441

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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