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	hartrees
Energy at 0K	-836.641556
Energy at 298.15K
HF Energy	-836.435733
Nuclear repulsion energy	147.858870

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	3175	3175	8.67	61.73	0.75	0.86
2	A	3160	3160	8.09	94.96	0.74	0.85
3	A	3072	3072	22.18	147.63	0.02	0.04
4	A	2610	2610	16.25	162.50	0.31	0.47
5	A	1509	1509	12.26	11.18	0.75	0.85
6	A	1493	1493	10.04	12.89	0.75	0.86
7	A	1402	1402	2.77	1.88	0.72	0.83
8	A	1011	1011	8.93	3.18	0.66	0.80
9	A	1008	1008	11.29	3.28	0.61	0.76
10	A	902	902	7.40	19.76	0.59	0.74
11	A	708	708	1.60	13.31	0.35	0.52
12	A	488	488	0.96	19.75	0.30	0.46
13	A	317	317	22.27	9.89	0.75	0.86
14	A	241	241	0.28	3.77	0.63	0.78
15	A	186	186	0.78	0.01	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-1.638	0.702	-0.005
S2	-0.493	-0.713	0.015
S3	1.363	0.241	-0.088
H4	1.576	0.442	1.231
H5	-1.473	1.320	-0.885
H6	-2.643	0.279	-0.046
H7	-1.540	1.302	0.897

	C1	S2	S3	H4	H5	H6	H7
C1		1.8202	3.0370	3.4537	1.0876	1.0908	1.0883
S2	1.8202		2.0894	2.6636	2.4296	2.3683	2.4367
S3	3.0370	2.0894		1.3509	3.1370	4.0059	3.2440
H4	3.4537	2.6636	1.3509		3.8141	4.4112	3.2506
H5	1.0876	2.4296	3.1370	3.8141		1.7760	1.7831
H6	1.0908	2.3683	4.0059	4.4112	1.7760		1.7757
H7	1.0883	2.4367	3.2440	3.2506	1.7831	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.719	S2	C1	H5	110.812
S2	C1	H6	106.170	S2	C1	H7	111.313
S2	S3	H4	99.218	H5	C1	H6	109.223
H5	C1	H7	110.066	H6	C1	H7	109.153

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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