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	hartrees
Energy at 0K	-28.053512
Energy at 298.15K
HF Energy	-27.686922
Nuclear repulsion energy	38.160293

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	3219	3056	14.61	49.94	0.75	0.86
2	A	3205	3043	11.03	84.45	0.73	0.85
3	A	3094	2937	28.37	139.41	0.01	0.03
4	A	2720	2582	14.84	156.98	0.32	0.49
5	A	1501	1425	9.04	11.16	0.72	0.84
6	A	1479	1404	9.20	17.19	0.75	0.86
7	A	1398	1327	4.52	2.50	0.74	0.85
8	A	1008	957	11.93	9.38	0.62	0.77
9	A	1004	953	5.60	9.87	0.74	0.85
10	A	913	867	7.91	24.52	0.72	0.84
11	A	738	700	1.25	17.34	0.33	0.50
12	A	536	508	0.72	18.70	0.25	0.40
13	A	304	288	24.31	14.49	0.75	0.86
14	A	244	232	0.16	5.16	0.66	0.79
15	A	187	178	0.89	0.27	0.75	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.646	0.701	-0.004
S2	-0.484	-0.718	0.014
S3	1.359	0.247	-0.088
H4	1.570	0.425	1.241
H5	-1.490	1.318	-0.903
H6	-2.660	0.263	-0.028
H7	-1.534	1.316	0.903

	C1	S2	S3	H4	H5	H6	H7
C1		1.8333	3.0397	3.4594	1.1012	1.1046	1.1018
S2	1.8333		2.0829	2.6519	2.4480	2.3862	2.4554
S3	3.0397	2.0829		1.3570	3.1501	4.0187	3.2392
H4	3.4594	2.6519	1.3570		3.8411	4.4188	3.2471
H5	1.1012	2.4480	3.1501	3.8411		1.8018	1.8064
H6	1.1046	2.3862	4.0187	4.4188	1.8018		1.8009
H7	1.1018	2.4554	3.2392	3.2471	1.8064	1.8009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.637	S2	C1	H5	110.570
S2	C1	H6	105.948	S2	C1	H7	111.099
S2	S3	H4	98.676	H5	C1	H6	109.540
H5	C1	H7	110.164	H6	C1	H7	109.422

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

using model chemistry: MP2/CEP-31G*

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-31G*

States and conformations

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