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	hartrees
Energy at 0K	-832.317620
Energy at 298.15K
HF Energy	-832.241963
Nuclear repulsion energy	139.261141

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	3230	3230	3.61	44.86	0.75	0.86
2	A	3206	3206	2.53	75.98	0.75	0.86
3	A	3111	3111	8.11	117.81	0.04	0.08
4	A	2447	2447	25.35	156.28	0.35	0.51
5	A	1556	1556	13.02	16.24	0.67	0.80
6	A	1542	1542	13.57	24.35	0.75	0.86
7	A	1406	1406	5.63	2.09	0.38	0.55
8	A	1007	1007	9.62	6.87	0.65	0.79
9	A	1000	1000	4.70	9.58	0.75	0.86
10	A	799	799	2.67	30.38	0.72	0.84
11	A	630	630	2.08	20.04	0.37	0.54
12	A	419	419	0.56	27.84	0.28	0.43
13	A	241	241	28.04	28.20	0.75	0.86
14	A	204	204	0.51	8.55	0.64	0.78
15	A	143	143	1.12	0.43	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.677	0.805	-0.000
S2	-0.590	-0.762	0.008
S3	1.469	0.239	-0.087
H4	1.648	0.338	1.273
H5	-1.440	1.393	-0.883
H6	-2.703	0.440	-0.044
H7	-1.508	1.369	0.913

	C1	S2	S3	H4	H5	H6	H7
C1		1.9063	3.1973	3.5907	1.0867	1.0907	1.0870
S2	1.9063		2.2912	2.7963	2.4817	2.4314	2.4904
S3	3.1973	2.2912		1.3750	3.2294	4.1775	3.3382
H4	3.5907	2.7963	1.3750		3.9111	4.5477	3.3401
H5	1.0867	2.4817	3.2294	3.9111		1.7912	1.7977
H6	1.0907	2.4314	4.1775	4.5477	1.7912		1.7912
H7	1.0870	2.4904	3.3382	3.3401	1.7977	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	98.819	S2	C1	H5	108.930
S2	C1	H6	105.174	S2	C1	H7	109.550
S2	S3	H4	96.189	H5	C1	H6	110.703
H5	C1	H7	111.585	H6	C1	H7	110.682

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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: B2PLYP=FULLultrafine/3-21G

States and conformations

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