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	hartrees
Energy at 0K	-836.569210
Energy at 298.15K
HF Energy	-836.426395
Nuclear repulsion energy	147.405789

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	3184	3052	6.22	62.33	0.75	0.86
2	A	3168	3036	5.37	96.53	0.74	0.85
3	A	3066	2939	19.15	158.35	0.02	0.04
4	A	2659	2548	9.50	174.65	0.28	0.43
5	A	1469	1408	8.65	12.25	0.74	0.85
6	A	1448	1388	8.26	15.34	0.75	0.86
7	A	1335	1280	5.95	1.82	0.40	0.58
8	A	972	932	6.21	4.04	0.53	0.69
9	A	968	928	4.08	3.92	0.66	0.80
10	A	877	840	3.58	23.68	0.65	0.79
11	A	701	672	1.86	13.00	0.29	0.45
12	A	501	481	0.82	13.82	0.26	0.42
13	A	313	300	16.52	13.42	0.75	0.86
14	A	240	230	0.23	5.63	0.62	0.76
15	A	173	166	0.49	0.02	0.72	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	-1.648	0.700	-0.005
S2	-0.490	-0.714	0.014
S3	1.367	0.243	-0.088
H4	1.562	0.435	1.242
H5	-1.497	1.314	-0.903
H6	-2.657	0.260	-0.028
H7	-1.539	1.313	0.900

	C1	S2	S3	H4	H5	H6	H7
C1		1.8277	3.0504	3.4547	1.0976	1.1007	1.0982
S2	1.8277		2.0918	2.6535	2.4426	2.3751	2.4472
S3	3.0504	2.0918		1.3580	3.1638	4.0237	3.2496
H4	3.4547	2.6535	1.3580		3.8383	4.4095	3.2411
H5	1.0976	2.4426	3.1638	3.8383		1.7951	1.8029
H6	1.1007	2.3751	4.0237	4.4095	1.7951		1.7942
H7	1.0982	2.4472	3.2496	3.2411	1.8029	1.7942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.996	S2	C1	H5	110.741
S2	C1	H6	105.702	S2	C1	H7	111.053
S2	S3	H4	98.311	H5	C1	H6	109.490
H5	C1	H7	110.379	H6	C1	H7	109.356

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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