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	hartrees
Energy at 0K	-835.221622
Energy at 298.15K
HF Energy	-835.221622
Nuclear repulsion energy	149.189395

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	3309	2992	9.23	66.66	0.75	0.86
2	A	3293	2978	8.16	90.39	0.74	0.85
3	A	3204	2897	27.66	134.09	0.02	0.04
4	A	2870	2595	7.01	156.38	0.34	0.50
5	A	1603	1449	9.82	9.12	0.70	0.83
6	A	1586	1434	9.09	14.13	0.75	0.86
7	A	1495	1352	6.06	0.76	0.63	0.77
8	A	1082	979	8.75	3.86	0.31	0.47
9	A	1074	971	1.21	2.14	0.75	0.86
10	A	990	895	12.16	16.01	0.67	0.80
11	A	769	695	1.87	22.85	0.38	0.55
12	A	558	505	1.03	35.48	0.24	0.38
13	A	322	291	22.79	1.61	0.75	0.86
14	A	262	237	0.09	4.43	0.57	0.73
15	A	190	172	0.68	0.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.646	0.682	-0.005
S2	-0.476	-0.703	0.015
S3	1.351	0.243	-0.087
H4	1.563	0.446	1.210
H5	-1.506	1.289	-0.889
H6	-2.636	0.241	-0.026
H7	-1.546	1.291	0.883

	C1	S2	S3	H4	H5	H6	H7
C1		1.8132	3.0305	3.4395	1.0809	1.0837	1.0814
S2	1.8132		2.0604	2.6281	2.4178	2.3570	2.4231
S3	3.0305	2.0604		1.3294	3.1469	3.9874	3.2296
H4	3.4395	2.6281	1.3294		3.8123	4.3813	3.2376
H5	1.0809	2.4178	3.1469	3.8123		1.7663	1.7725
H6	1.0837	2.3570	3.9874	4.3813	1.7663		1.7651
H7	1.0814	2.4231	3.2296	3.2376	1.7725	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.765	S2	C1	H5	110.761
S2	C1	H6	106.148	S2	C1	H7	111.135
S2	S3	H4	99.396	H5	C1	H6	109.369
H5	C1	H7	110.106	H6	C1	H7	109.224

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

using model chemistry: HF/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	-0.463
2	S	-0.016
3	S	-0.074
4	H	0.057
5	H	0.172
6	H	0.162
7	H	0.162

	x	y	z	Total
	-1.161	1.451	1.034	2.126
CHELPG
AIM
ESP

	x	y	z
x	8.984	0.296	0.207
y	0.296	6.295	0.086
z	0.207	0.086	5.562

<r²>	102.656
(<r²>)^1/2	10.132

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

using model chemistry: HF/6-31+G**

States and conformations

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