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	hartrees
Energy at 0K	-835.211384
Energy at 298.15K
HF Energy	-835.211384
Nuclear repulsion energy	149.250692

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	3334	2996	10.32	63.66	0.75	0.86
2	A	3317	2980	8.64	89.84	0.75	0.86
3	A	3231	2903	26.92	121.41	0.02	0.04
4	A	2892	2598	17.44	166.40	0.35	0.52
5	A	1626	1461	8.72	14.12	0.73	0.84
6	A	1610	1446	7.97	20.35	0.75	0.86
7	A	1516	1362	8.87	1.71	0.46	0.63
8	A	1093	982	10.45	5.53	0.51	0.67
9	A	1085	974	1.89	5.69	0.75	0.86
10	A	1005	903	11.68	21.53	0.72	0.83
11	A	771	693	1.85	20.84	0.40	0.58
12	A	562	505	1.00	35.79	0.27	0.43
13	A	331	297	22.60	8.62	0.75	0.85
14	A	262	236	0.10	4.67	0.61	0.76
15	A	190	171	0.62	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.646	0.682	-0.006
S2	-0.475	-0.704	0.015
S3	1.350	0.243	-0.087
H4	1.562	0.453	1.208
H5	-1.506	1.289	-0.888
H6	-2.636	0.242	-0.027
H7	-1.547	1.291	0.882

	C1	S2	S3	H4	H5	H6	H7
C1		1.8144	3.0289	3.4374	1.0805	1.0834	1.0810
S2	1.8144		2.0584	2.6284	2.4190	2.3591	2.4242
S3	3.0289	2.0584		1.3284	3.1452	3.9861	3.2287
H4	3.4374	2.6284	1.3284		3.8086	4.3804	3.2357
H5	1.0805	2.4190	3.1452	3.8086		1.7653	1.7710
H6	1.0834	2.3591	3.9861	4.3804	1.7653		1.7640
H7	1.0810	2.4242	3.2287	3.2357	1.7710	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.721	S2	C1	H5	110.797
S2	C1	H6	106.237	S2	C1	H7	111.162
S2	S3	H4	99.545	H5	C1	H6	109.336
H5	C1	H7	110.042	H6	C1	H7	109.172

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

using model chemistry: HF/6-31G*

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	-0.634
2	S	0.039
3	S	-0.130
4	H	0.110
5	H	0.211
6	H	0.204
7	H	0.200

	x	y	z	Total
	-1.154	1.445	1.021	2.112
CHELPG
AIM
ESP

	x	y	z
x	8.410	0.488	0.221
y	0.488	5.363	0.125
z	0.221	0.125	4.761

<r²>	102.494
(<r²>)^1/2	10.124

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

using model chemistry: HF/6-31G*

States and conformations

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