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	hartrees
Energy at 0K	-13.097458
Energy at 298.15K	-13.092164
Nuclear repulsion energy	22.140404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2996	2920	19.51
2	A₁	2139	2084	75.64
3	A₁	1347	1312	20.64
4	A₁	899	876	211.60
5	A₁	671	654	7.32
6	A₂	149	145	0.00
7	E	3094	3015	23.04
7	E	3094	3015	23.06
8	E	2156	2101	176.02
8	E	2156	2101	176.03
9	E	1497	1459	9.00
9	E	1497	1459	9.00
10	E	933	909	0.01
10	E	933	909	0.01
11	E	916	892	106.13
11	E	916	892	106.12
12	E	523	510	16.31
12	E	523	510	16.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.992
Si2	0.000	0.000	-0.928
H3	0.000	1.025	1.382
H4	-0.888	-0.513	1.382
H5	0.888	-0.513	1.382
H6	0.000	-1.411	-1.467
H7	-1.222	0.706	-1.467
H8	1.222	0.706	-1.467

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.9199	1.0971	1.0971	1.0971	2.8348	2.8348	2.8348
Si2	1.9199		2.5276	2.5276	2.5276	1.5104	1.5104	1.5104
H3	1.0971	2.5276		1.7759	1.7759	3.7487	3.1164	3.1164
H4	1.0971	2.5276	1.7759		1.7759	3.1164	3.1164	3.7487
H5	1.0971	2.5276	1.7759	1.7759		3.1164	3.7487	3.1164
H6	2.8348	1.5104	3.7487	3.1164	3.1164		2.4441	2.4441
H7	2.8348	1.5104	3.1164	3.1164	3.7487	2.4441		2.4441
H8	2.8348	1.5104	3.1164	3.7487	3.1164	2.4441	2.4441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.895	C1	Si2	H7	110.895
C1	Si2	H8	110.895	Si2	C1	H3	110.844
Si2	C1	H4	110.844	Si2	C1	H5	110.844
H3	C1	H4	108.065	H3	C1	H5	108.065
H4	C1	H5	108.065	H6	Si2	H7	108.010
H6	Si2	H8	108.010	H7	Si2	H8	108.010

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

using model chemistry: B3LYP/CEP-121G

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	-0.735
2	Si	0.495
3	H	0.173
4	H	0.173
5	H	0.173
6	H	-0.093
7	H	-0.093
8	H	-0.093

<r²>	42.737
(<r²>)^1/2	6.537

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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