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	hartrees
Energy at 0K	-835.807246
Energy at 298.15K
HF Energy	-835.239772
Nuclear repulsion energy	148.673952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3193	3193
2	A	3177	3177
3	A	3080	3080
4	A	2678	2678
5	A	1499	1499
6	A	1481	1481
7	A	1369	1369
8	A	988	988
9	A	984	984
10	A	896	896
11	A	719	719
12	A	523	523
13	A	322	322
14	A	241	241
15	A	173	173

Atom	x (Å)	y (Å)	z (Å)
C1	-1.637	0.695	-0.005
S2	-0.481	-0.712	0.015
S3	1.351	0.244	-0.087
H4	1.551	0.442	1.229
H5	-1.481	1.304	-0.896
H6	-2.642	0.262	-0.029
H7	-1.524	1.302	0.893

	C1	S2	S3	H4	H5	H6	H7
C1		1.8209	3.0229	3.4278	1.0904	1.0937	1.0908
S2	1.8209		2.0683	2.6328	2.4271	2.3705	2.4324
S3	3.0229	2.0683		1.3462	3.1296	3.9927	3.2167
H4	3.4278	2.6328	1.3462		3.8011	4.3804	3.2104
H5	1.0904	2.4271	3.1296	3.8011		1.7844	1.7905
H6	1.0937	2.3705	3.9927	4.3804	1.7844		1.7834
H7	1.0908	2.4324	3.2167	3.2104	1.7905	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.832	S2	C1	H5	110.429
S2	C1	H6	106.145	S2	C1	H7	110.808
S2	S3	H4	98.694	H5	C1	H6	109.571
H5	C1	H7	110.340	H6	C1	H7	109.454

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CH3SSH (Hydrogen methyl disulfide)

using model chemistry: CCSD(T)/6-31G(2df,p)

States and conformations

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