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	hartrees
Energy at 0K	-835.893714
Energy at 298.15K
HF Energy	-835.298335
Nuclear repulsion energy	149.168016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3148	3107
2	A	3134	3093
3	A	3044	3004
4	A	2645	2610
5	A	1493	1473
6	A	1474	1455
7	A	1360	1342
8	A	982	969
9	A	978	965
10	A	884	872
11	A	718	708
12	A	513	507
13	A	319	315
14	A	242	239
15	A	174	171

Atom	x (Å)	y (Å)	z (Å)
C1	-1.633	0.690	-0.006
S2	-0.478	-0.708	0.015
S3	1.346	0.243	-0.087
H4	1.545	0.443	1.228
H5	-1.479	1.299	-0.895
H6	-2.636	0.257	-0.029
H7	-1.522	1.297	0.892

	C1	S2	S3	H4	H5	H6	H7
C1		1.8138	3.0143	3.4180	1.0891	1.0925	1.0895
S2	1.8138		2.0601	2.6246	2.4202	2.3642	2.4248
S3	3.0143	2.0601		1.3453	3.1224	3.9829	3.2089
H4	3.4180	2.6246	1.3453		3.7923	4.3696	3.2007
H5	1.0891	2.4202	3.1224	3.7923		1.7818	1.7880
H6	1.0925	2.3642	3.9829	4.3696	1.7818		1.7813
H7	1.0895	2.4248	3.2089	3.2007	1.7880	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.986	S2	C1	H5	110.467
S2	C1	H6	106.205	S2	C1	H7	110.786
S2	S3	H4	98.664	H5	C1	H6	109.526
H5	C1	H7	110.318	H6	C1	H7	109.447

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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)/6-311+G(3df,2p)

States and conformations

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