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	hartrees
Energy at 0K	-826.179034
Energy at 298.15K
HF Energy	-826.076077
Nuclear repulsion energy	147.759581

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	3534	3082	1.06	36.71	0.71	0.83
2	A	3517	3067	5.47	23.94	0.74	0.85
3	A	3345	2917	3.51	38.01	0.01	0.02
4	A	3038	2649	33.24	72.04	0.30	0.46
5	A	1736	1514	3.39	13.69	0.73	0.84
6	A	1721	1500	2.65	18.58	0.75	0.86
7	A	1588	1384	13.83	4.43	0.68	0.81
8	A	1098	958	7.54	4.63	0.61	0.76
9	A	1092	952	1.10	4.58	0.73	0.85
10	A	1051	917	15.25	14.44	0.74	0.85
11	A	868	757	0.74	11.49	0.36	0.53
12	A	636	555	0.13	15.44	0.29	0.44
13	A	277	242	3.65	2.85	0.67	0.80
14	A	242	211	6.36	15.10	0.74	0.85
15	A	162	141	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	1.352	0.248	-0.086
H4	1.497	0.417	1.250
H5	-1.482	1.330	-0.915
H6	-2.648	0.346	0.018
H7	-1.459	1.370	0.872

	C1	S2	S3	H4	H5	H6	H7
C1		1.8264	2.9965	3.3616	1.1053	1.1039	1.1058
S2	1.8264		2.0917	2.6106	2.4679	2.4099	2.4688
S3	2.9965	2.0917		1.3550	3.1442	4.0021	3.1743
H4	3.3616	2.6106	1.3550		3.7940	4.3246	3.1282
H5	1.1053	2.4679	3.1442	3.7940		1.7876	1.7881
H6	1.1039	2.4099	4.0021	4.3246	1.7876		1.7868
H7	1.1058	2.4688	3.1743	3.1282	1.7881	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	99.557	S2	C1	H5	112.317
S2	C1	H6	108.109	S2	C1	H7	112.356
S2	S3	H4	96.117	H5	C1	H6	108.028
H5	C1	H7	107.939	H6	C1	H7	107.920

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

using model chemistry: MP2/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/STO-3G

States and conformations

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