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	hartrees
Energy at 0K	-329.485909
Energy at 298.15K	-329.480716
Nuclear repulsion energy	62.510441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3043	2920	3.49
2	A₁	2255	2164	64.60
3	A₁	1361	1306	30.09
4	A₁	949	910	220.41
5	A₁	709	680	6.52
6	A₂	198	190	0.00
7	E	3124	2997	6.50
7	E	3124	2997	6.50
8	E	2259	2167	146.76
8	E	2259	2167	146.76
9	E	1526	1464	6.83
9	E	1526	1464	6.83
10	E	962	923	36.79
10	E	962	923	36.79
11	E	924	886	83.62
11	E	924	886	83.62
12	E	534	512	8.07
12	E	534	512	8.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.248
Si2	0.000	0.000	0.636
H3	0.000	-1.026	-1.639
H4	-0.888	0.513	-1.639
H5	0.888	0.513	-1.639
H6	0.000	1.393	1.167
H7	-1.207	-0.697	1.167
H8	1.207	-0.697	1.167

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8841	1.0977	1.0977	1.0977	2.7885	2.7885	2.7885
Si2	1.8841		2.4953	2.4953	2.4953	1.4912	1.4912	1.4912
H3	1.0977	2.4953		1.7769	1.7769	3.7049	3.0721	3.0721
H4	1.0977	2.4953	1.7769		1.7769	3.0721	3.0721	3.7049
H5	1.0977	2.4953	1.7769	1.7769		3.0721	3.7049	3.0721
H6	2.7885	1.4912	3.7049	3.0721	3.0721		2.4133	2.4133
H7	2.7885	1.4912	3.0721	3.0721	3.7049	2.4133		2.4133
H8	2.7885	1.4912	3.0721	3.7049	3.0721	2.4133	2.4133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.876	C1	Si2	H7	110.876
C1	Si2	H8	110.876	Si2	C1	H3	110.841
Si2	C1	H4	110.841	Si2	C1	H5	110.841
H3	C1	H4	108.067	H3	C1	H5	108.067
H4	C1	H5	108.067	H6	Si2	H7	108.031
H6	Si2	H8	108.031	H7	Si2	H8	108.031

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

using model chemistry: B3PW91/3-21G*

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	-0.918
2	Si	0.441
3	H	0.227
4	H	0.227
5	H	0.227
6	H	-0.068
7	H	-0.068
8	H	-0.068

<r²>	50.412
(<r²>)^1/2	7.100

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

using model chemistry: B3PW91/3-21G*

States and conformations

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