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	hartrees
Energy at 0K	-836.925653
Energy at 298.15K
HF Energy	-836.925653
Nuclear repulsion energy	149.710942

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	3158	3158	4.38	52.85	0.75	0.86
2	A	3144	3144	4.50	74.60	0.74	0.85
3	A	3052	3052	16.66	169.69	0.03	0.05
4	A	2685	2685	2.78	140.63	0.24	0.39
5	A	1485	1485	9.25	4.17	0.69	0.82
6	A	1466	1466	9.96	5.51	0.75	0.86
7	A	1357	1357	1.58	0.70	0.17	0.29
8	A	982	982	5.77	1.45	0.10	0.18
9	A	978	978	2.89	0.47	0.24	0.39
10	A	897	897	5.03	9.11	0.48	0.65
11	A	717	717	1.53	12.25	0.23	0.37
12	A	522	522	0.51	12.31	0.12	0.21
13	A	336	336	13.43	0.55	0.73	0.85
14	A	248	248	0.15	4.84	0.52	0.68
15	A	167	167	0.40	0.01	0.61	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-1.643	0.676	-0.006
S2	-0.470	-0.699	0.015
S3	1.345	0.243	-0.088
H4	1.551	0.450	1.223
H5	-1.502	1.288	-0.893
H6	-2.634	0.223	-0.034
H7	-1.551	1.282	0.892

	C1	S2	S3	H4	H5	H6	H7
C1		1.8067	3.0197	3.4292	1.0872	1.0903	1.0875
S2	1.8067		2.0467	2.6193	2.4164	2.3529	2.4206
S3	3.0197	2.0467		1.3430	3.1381	3.9793	3.2283
H4	3.4292	2.6193	1.3430		3.8081	4.3755	3.2278
H5	1.0872	2.4164	3.1381	3.8081		1.7761	1.7855
H6	1.0903	2.3529	3.9793	4.3755	1.7761		1.7758
H7	1.0875	2.4206	3.2283	3.2278	1.7855	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	103.014	S2	C1	H5	110.767
S2	C1	H6	105.957	S2	C1	H7	111.064
S2	S3	H4	99.084	H5	C1	H6	109.306
H5	C1	H7	110.377	H6	C1	H7	109.255

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	-0.432
2	S	-0.065
3	S	-0.210
4	H	0.164
5	H	0.189
6	H	0.174
7	H	0.180

	x	y	z	Total
	-1.078	1.212	0.783	1.801
CHELPG
AIM
ESP

	x	y	z
x	10.426	0.191	0.138
y	0.191	7.634	0.041
z	0.138	0.041	6.728

<r²>	101.475
(<r²>)^1/2	10.073

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

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