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	hartrees
Energy at 0K	-27.687601
Energy at 298.15K
HF Energy	-27.687601
Nuclear repulsion energy	38.370332

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	3350	3008	28.81	61.88	0.75	0.86
2	A	3333	2993	23.09	95.01	0.75	0.85
3	A	3241	2911	50.06	152.48	0.02	0.03
4	A	2877	2584	19.52	179.74	0.35	0.52
5	A	1608	1444	7.58	11.62	0.72	0.84
6	A	1591	1429	6.64	18.25	0.75	0.86
7	A	1494	1341	16.33	0.77	0.55	0.71
8	A	1074	964	10.00	8.80	0.57	0.72
9	A	1064	955	1.75	9.13	0.75	0.86
10	A	984	883	11.71	20.93	0.74	0.85
11	A	769	691	2.21	26.82	0.38	0.55
12	A	567	509	1.14	35.13	0.26	0.41
13	A	317	285	23.96	14.30	0.75	0.86
14	A	257	231	0.10	5.19	0.66	0.79
15	A	190	171	0.64	0.18	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.654	0.690	-0.005
S2	-0.479	-0.710	0.014
S3	1.358	0.246	-0.087
H4	1.569	0.435	1.222
H5	-1.513	1.295	-0.896
H6	-2.649	0.245	-0.019
H7	-1.545	1.302	0.887

	C1	S2	S3	H4	H5	H6	H7
C1		1.8273	3.0453	3.4580	1.0868	1.0899	1.0873
S2	1.8273		2.0728	2.6388	2.4323	2.3709	2.4382
S3	3.0453	2.0728		1.3393	3.1615	4.0072	3.2387
H4	3.4580	2.6388	1.3393		3.8372	4.4010	3.2497
H5	1.0868	2.4323	3.1615	3.8372		1.7782	1.7837
H6	1.0899	2.3709	4.0072	4.4010	1.7782		1.7771
H7	1.0873	2.4382	3.2387	3.2497	1.7837	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.489	S2	C1	H5	110.577
S2	C1	H6	105.941	S2	C1	H7	110.990
S2	S3	H4	99.044	H5	C1	H6	109.559
H5	C1	H7	110.254	H6	C1	H7	109.419

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

using model chemistry: HF/CEP-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	-0.360
2	S	-0.072
3	S	-0.141
4	H	0.112
5	H	0.162
6	H	0.148
7	H	0.151

	x	y	z	Total
	-1.180	1.501	1.098	2.202
CHELPG
AIM
ESP

	x	y	z
x	8.573	0.518	0.159
y	0.518	5.306	0.098
z	0.159	0.098	4.200

<r²>	69.437
(<r²>)^1/2	8.333

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

using model chemistry: HF/CEP-31G*

States and conformations

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