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	hartrees
Energy at 0K	-836.533720
Energy at 298.15K
HF Energy	-836.391820
Nuclear repulsion energy	148.074981

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	3197	3040	5.99	63.68	0.75	0.86
2	A	3183	3027	5.68	90.98	0.73	0.84
3	A	3087	2936	19.94	150.81	0.02	0.04
4	A	2694	2562	11.82	160.70	0.30	0.46
5	A	1503	1429	11.46	8.64	0.70	0.83
6	A	1480	1408	9.79	12.80	0.75	0.86
7	A	1391	1323	2.66	2.12	0.75	0.86
8	A	1002	953	7.71	3.37	0.29	0.45
9	A	996	948	3.54	2.19	0.65	0.79
10	A	899	855	10.98	23.79	0.57	0.73
11	A	711	676	1.42	15.75	0.32	0.49
12	A	504	480	0.84	18.43	0.21	0.34
13	A	308	293	19.99	1.10	0.75	0.85
14	A	241	229	0.10	5.10	0.54	0.70
15	A	175	166	0.83	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.650	0.692	-0.005
S2	-0.484	-0.709	0.015
S3	1.362	0.243	-0.088
H4	1.572	0.449	1.225
H5	-1.494	1.312	-0.886
H6	-2.648	0.252	-0.047
H7	-1.562	1.294	0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8225	3.0460	3.4576	1.0886	1.0914	1.0891
S2	1.8225		2.0796	2.6520	2.4326	2.3680	2.4395
S3	3.0460	2.0796		1.3454	3.1522	4.0097	3.2591
H4	3.4576	2.6520	1.3454		3.8217	4.4118	3.2623
H5	1.0886	2.4326	3.1522	3.8217		1.7778	1.7853
H6	1.0914	2.3680	4.0097	4.4118	1.7778		1.7770
H7	1.0891	2.4395	3.2591	3.2623	1.7853	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.435	S2	C1	H5	110.835
S2	C1	H6	105.977	S2	C1	H7	111.332
S2	S3	H4	99.239	H5	C1	H6	109.276
H5	C1	H7	110.139	H6	C1	H7	109.171

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

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

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