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	hartrees
Energy at 0K	-60.110371
Energy at 298.15K
HF Energy	-59.923420
Nuclear repulsion energy	44.993154

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	3193	3076	17.51	44.87	0.75	0.86
2	A	3178	3061	9.48	78.20	0.74	0.85
3	A	3052	2940	26.97	138.10	0.01	0.03
4	A	2524	2431	26.07	165.33	0.32	0.49
5	A	1509	1453	9.71	14.75	0.65	0.79
6	A	1490	1435	11.75	18.84	0.75	0.86
7	A	1416	1364	2.96	0.90	0.58	0.74
8	A	1014	976	6.48	12.95	0.75	0.86
9	A	1008	971	11.02	10.16	0.70	0.83
10	A	806	776	3.12	34.19	0.74	0.85
11	A	655	631	0.81	27.68	0.34	0.50
12	A	403	388	0.29	22.35	0.25	0.40
13	A	228	220	28.07	46.88	0.75	0.86
14	A	210	203	1.20	7.15	0.70	0.82
15	A	169	163	1.20	0.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.694	0.789	-0.000
S2	-0.585	-0.758	0.009
S3	1.476	0.240	-0.087
H4	1.674	0.346	1.272
H5	-1.491	1.392	-0.896
H6	-2.729	0.413	-0.025
H7	-1.532	1.385	0.909

	C1	S2	S3	H4	H5	H6	H7
C1		1.9033	3.2181	3.6278	1.0985	1.1016	1.0991
S2	1.9033		2.2918	2.8140	2.5021	2.4430	2.5097
S3	3.2181	2.2918		1.3776	3.2838	4.2089	3.3686
H4	3.6278	2.8140	1.3776		3.9768	4.5909	3.3899
H5	1.0985	2.5021	3.2838	3.9768		1.8028	1.8052
H6	1.1016	2.4430	4.2089	4.5909	1.8028		1.8029
H7	1.0991	2.5097	3.3686	3.3899	1.8052	1.8029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	99.774	S2	C1	H5	110.017
S2	C1	H6	105.663	S2	C1	H7	110.539
S2	S3	H4	96.992	H5	C1	H6	110.050
H5	C1	H7	110.457	H6	C1	H7	110.013

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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