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	hartrees
Energy at 0K	-836.689108
Energy at 298.15K
HF Energy	-836.478909
Nuclear repulsion energy	148.822222

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	3163	3163	4.43	54.44	0.75	0.86
2	A	3146	3146	4.78	76.96	0.75	0.86
3	A	3067	3067	16.42	197.26	0.03	0.06
4	A	2659	2659	3.41	162.50	0.21	0.34
5	A	1494	1494	8.25	4.09	0.72	0.83
6	A	1474	1474	8.51	5.29	0.75	0.86
7	A	1355	1355	2.89	0.87	0.11	0.20
8	A	984	984	4.95	1.35	0.08	0.15
9	A	980	980	2.46	0.41	0.12	0.21
10	A	887	887	4.68	9.26	0.40	0.57
11	A	703	703	1.33	14.35	0.23	0.38
12	A	511	511	0.63	13.58	0.12	0.22
13	A	321	321	12.08	0.76	0.75	0.86
14	A	240	240	0.15	5.21	0.50	0.67
15	A	170	170	0.31	0.01	0.70	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.645	0.688	-0.005
S2	-0.479	-0.706	0.014
S3	1.353	0.244	-0.087
H4	1.557	0.436	1.228
H5	-1.490	1.299	-0.888
H6	-2.639	0.245	-0.038
H7	-1.545	1.287	0.894

	C1	S2	S3	H4	H5	H6	H7
C1		1.8180	3.0318	3.4407	1.0848	1.0884	1.0851
S2	1.8180		2.0655	2.6310	2.4205	2.3605	2.4254
S3	3.0318	2.0655		1.3453	3.1365	3.9916	3.2321
H4	3.4407	2.6310	1.3453		3.8091	4.3866	3.2334
H5	1.0848	2.4205	3.1365	3.8091		1.7757	1.7831
H6	1.0884	2.3605	3.9916	4.3866	1.7757		1.7753
H7	1.0851	2.4254	3.2321	3.2334	1.7831	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.459	S2	C1	H5	110.429
S2	C1	H6	105.875	S2	C1	H7	110.784
S2	S3	H4	98.756	H5	C1	H6	109.591
H5	C1	H7	110.521	H6	C1	H7	109.531

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

using model chemistry: B2PLYP=FULL/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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