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	hartrees
Energy at 0K	-330.959958
Energy at 298.15K	-330.965765
Nuclear repulsion energy	62.162333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2997	2947	3.77
2	A	2175	2139	69.99
3	A	1279	1257	13.71
4	A	903	888	186.62
5	A	679	668	7.03
6	A	192	189	0.00
7	E	3083	3032	6.77
7	E	3083	3032	6.77
8	E	2184	2148	161.92
8	E	2184	2148	161.94
9	E	1449	1425	4.06
9	E	1449	1425	4.06
10	E	921	905	26.93
10	E	921	905	26.93
11	E	873	859	72.08
11	E	873	859	72.08
12	E	499	491	6.21
12	E	499	491	6.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.254
Si2	0.000	0.000	0.639
H3	-1.030	-0.000	-1.648
H4	0.515	0.892	-1.648
H5	0.515	-0.892	-1.648
H6	1.403	-0.000	1.176
H7	-0.702	1.215	1.176
H8	-0.702	-1.215	1.176

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8933	1.1028	1.1028	1.1028	2.8061	2.8061	2.8061
Si2	1.8933		2.5080	2.5080	2.5080	1.5023	1.5023	1.5023
H3	1.1028	2.5080		1.7844	1.7844	3.7273	3.0913	3.0913
H4	1.1028	2.5080	1.7844		1.7844	3.0913	3.0913	3.7273
H5	1.1028	2.5080	1.7844	1.7844		3.0913	3.7273	3.0913
H6	2.8061	1.5023	3.7273	3.0913	3.0913		2.4302	2.4302
H7	2.8061	1.5023	3.0913	3.0913	3.7273	2.4302		2.4302
H8	2.8061	1.5023	3.0913	3.7273	3.0913	2.4302	2.4302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.935	C1	Si2	H7	110.935
C1	Si2	H8	110.935	Si2	C1	H3	110.897
Si2	C1	H4	110.897	Si2	C1	H5	110.897
H3	C1	H4	108.009	H3	C1	H5	108.009
H4	C1	H5	108.009	H6	Si2	H7	107.969
H6	Si2	H8	107.969	H7	Si2	H8	107.969

All results from a given calculation for CH₃SiH₃ (methyl silane)

using model chemistry: PBEPBEultrafine/6-31G*

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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Number	Element	Mulliken
1	C	-0.694
2	Si	0.262
3	H	0.189
4	H	0.189
5	H	0.189
6	H	-0.045
7	H	-0.045
8	H	-0.045

<r²>	50.746
(<r²>)^1/2	7.124

All results from a given calculation for CH3SiH3 (methyl silane)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CH₃SiH₃ (methyl silane)