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	hartrees
Energy at 0K	-835.714350
Energy at 298.15K
HF Energy	-835.258214
Nuclear repulsion energy	147.409265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3053	7.67
2	A	3178	3040	6.48
3	A	3076	2943	20.19
4	A	2705	2588	10.07
5	A	1483	1419	7.35
6	A	1464	1401	7.14
7	A	1359	1300	6.05
8	A	984	942	4.70
9	A	981	939	3.86
10	A	895	856	3.32
11	A	727	696	1.37
12	A	510	488	0.54
13	A	305	292	16.31
14	A	245	235	0.15
15	A	179	172	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.633	0.709	-0.005
S2	-0.495	-0.719	0.013
S3	1.364	0.243	-0.087
H4	1.549	0.426	1.243
H5	-1.478	1.321	-0.908
H6	-2.655	0.289	-0.019
H7	-1.508	1.328	0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8263	3.0340	3.4295	1.1015	1.1043	1.1022
S2	1.8263		2.0959	2.6460	2.4451	2.3834	2.4492
S3	3.0340	2.0959		1.3552	3.1478	4.0190	3.2238
H4	3.4295	2.6460	1.3552		3.8188	4.3907	3.2052
H5	1.1015	2.4451	3.1478	3.8188		1.7998	1.8061
H6	1.1043	2.3834	4.0190	4.3907	1.7998		1.7987
H7	1.1022	2.4492	3.2238	3.2052	1.8061	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.123	S2	C1	H5	110.811
S2	C1	H6	106.204	S2	C1	H7	111.081
S2	S3	H4	97.813	H5	C1	H6	109.359
H5	C1	H7	110.082	H6	C1	H7	109.208

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

using model chemistry: CCD/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/cc-pVDZ

States and conformations

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