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	hartrees
Energy at 0K	-826.180624
Energy at 298.15K
HF Energy	-826.076107
Nuclear repulsion energy	147.783225

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	3535	3142	1.07	36.70	0.71	0.83
2	A	3518	3127	5.49	23.95	0.74	0.85
3	A	3346	2974	3.54	38.01	0.01	0.02
4	A	3039	2702	33.42	71.99	0.30	0.46
5	A	1736	1544	3.40	13.69	0.73	0.84
6	A	1721	1530	2.65	18.57	0.75	0.86
7	A	1588	1412	13.75	4.45	0.68	0.81
8	A	1098	976	7.56	4.63	0.61	0.76
9	A	1092	971	1.12	4.58	0.73	0.85
10	A	1052	935	15.30	14.43	0.74	0.85
11	A	868	772	0.75	11.46	0.36	0.53
12	A	636	566	0.13	15.41	0.29	0.44
13	A	278	247	3.66	2.85	0.67	0.80
14	A	242	215	6.30	15.08	0.74	0.85
15	A	162	144	0.24	0.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.607	0.714	-0.006
S2	-0.493	-0.733	0.012
S3	1.351	0.248	-0.086
H4	1.496	0.418	1.250
H5	-1.482	1.329	-0.915
H6	-2.648	0.346	0.018
H7	-1.459	1.370	0.872

	C1	S2	S3	H4	H5	H6	H7
C1		1.8260	2.9961	3.3610	1.1052	1.1039	1.1058
S2	1.8260		2.0913	2.6103	2.4677	2.4096	2.4686
S3	2.9961	2.0913		1.3549	3.1440	4.0016	3.1741
H4	3.3610	2.6103	1.3549		3.7936	4.3241	3.1279
H5	1.1052	2.4677	3.1440	3.7936		1.7874	1.7879
H6	1.1039	2.4096	4.0016	4.3241	1.7874		1.7866
H7	1.1058	2.4686	3.1741	3.1279	1.7879	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	99.563	S2	C1	H5	112.330
S2	C1	H6	108.118	S2	C1	H7	112.370
S2	S3	H4	96.122	H5	C1	H6	108.016
H5	C1	H7	107.926	H6	C1	H7	107.908

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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