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	hartrees
Energy at 0K	-836.845309
Energy at 298.15K
HF Energy	-836.845309
Nuclear repulsion energy	148.432316

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	3182	3030	5.31	65.16	0.75	0.86
2	A	3170	3019	4.86	91.81	0.72	0.84
3	A	3071	2924	19.20	150.16	0.02	0.04
4	A	2683	2555	10.65	157.73	0.30	0.47
5	A	1489	1418	12.57	9.19	0.71	0.83
6	A	1471	1401	11.64	13.89	0.75	0.86
7	A	1380	1314	0.94	2.34	0.72	0.84
8	A	998	950	9.21	3.80	0.32	0.48
9	A	993	945	3.67	2.35	0.71	0.83
10	A	902	859	10.09	23.89	0.60	0.75
11	A	718	684	1.62	14.52	0.33	0.50
12	A	521	496	0.80	18.57	0.21	0.34
13	A	313	298	22.03	1.26	0.74	0.85
14	A	246	234	0.14	4.90	0.56	0.72
15	A	173	165	0.87	0.10	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.647	0.688	-0.006
S2	-0.481	-0.707	0.015
S3	1.357	0.243	-0.088
H4	1.565	0.450	1.227
H5	-1.497	1.307	-0.892
H6	-2.647	0.246	-0.040
H7	-1.555	1.295	0.897

	C1	S2	S3	H4	H5	H6	H7
C1		1.8180	3.0381	3.4487	1.0912	1.0935	1.0916
S2	1.8180		2.0719	2.6446	2.4308	2.3663	2.4368
S3	3.0381	2.0719		1.3472	3.1502	4.0040	3.2493
H4	3.4487	2.6446	1.3472		3.8210	4.4029	3.2494
H5	1.0912	2.4308	3.1502	3.8210		1.7810	1.7899
H6	1.0935	2.3663	4.0040	4.4029	1.7810		1.7805
H7	1.0916	2.4368	3.2493	3.2494	1.7899	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.510	S2	C1	H5	110.862
S2	C1	H6	106.036	S2	C1	H7	111.293
S2	S3	H4	99.134	H5	C1	H6	109.213
H5	C1	H7	110.178	H6	C1	H7	109.145

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.593
2	S	0.018
3	S	-0.100
4	H	0.084
5	H	0.204
6	H	0.193
7	H	0.194

	x	y	z	Total
	-1.110	1.402	1.028	2.063
CHELPG
AIM
ESP

	x	y	z
x	9.303	0.269	0.187
y	0.269	6.586	0.079
z	0.187	0.079	5.824

<r²>	103.004
(<r²>)^1/2	10.149

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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