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	hartrees
Energy at 0K	-835.747368
Energy at 298.15K
HF Energy	-835.265890
Nuclear repulsion energy	147.073366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3058	5.88
2	A	3155	3043	6.20
3	A	3057	2949	18.22
4	A	2682	2587	3.00
5	A	1469	1417	6.76
6	A	1452	1401	7.18
7	A	1347	1299	4.78
8	A	980	945	5.26
9	A	976	941	1.31
10	A	884	852	3.37
11	A	719	693	0.97
12	A	502	485	0.49
13	A	305	294	12.89
14	A	240	232	0.15
15	A	174	168	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.635	0.714	-0.004
S2	-0.499	-0.722	0.013
S3	1.367	0.244	-0.087
H4	1.555	0.414	1.246
H5	-1.465	1.326	-0.902
H6	-2.657	0.300	-0.029
H7	-1.508	1.322	0.904

	C1	S2	S3	H4	H5	H6	H7
C1		1.8313	3.0397	3.4390	1.0996	1.1030	1.1000
S2	1.8313		2.1033	2.6509	2.4418	2.3882	2.4472
S3	3.0397	2.1033		1.3568	3.1387	4.0246	3.2263
H4	3.4390	2.6509	1.3568		3.8158	4.4018	3.2126
H5	1.0996	2.4418	3.1387	3.8158		1.7988	1.8068
H6	1.1030	2.3882	4.0246	4.4018	1.7988		1.7985
H7	1.1000	2.4472	3.2263	3.2126	1.8068	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	100.939	S2	C1	H5	110.336
S2	C1	H6	106.288	S2	C1	H7	110.711
S2	S3	H4	97.676	H5	C1	H6	109.510
H5	C1	H7	110.450	H6	C1	H7	109.453

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

using model chemistry: CCD/aug-cc-pVDZ

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

using model chemistry: CCD/aug-cc-pVDZ

States and conformations

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