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	hartrees
Energy at 0K	-13.090453
Energy at 298.15K	-13.085151
Nuclear repulsion energy	22.106449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3039	2943	25.52
2	A₁	2121	2054	73.88
3	A₁	1344	1301	29.28
4	A₁	897	869	199.63
5	A₁	676	655	6.52
6	A₂	153	148	0.00
7	E	3133	3034	32.14
7	E	3133	3034	32.16
8	E	2143	2076	199.85
8	E	2143	2076	199.86
9	E	1485	1438	10.98
9	E	1485	1438	10.98
10	E	933	904	0.08
10	E	933	904	0.08
11	E	915	886	109.51
11	E	915	886	109.50
12	E	522	506	14.28
12	E	522	506	14.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.990
Si2	0.000	0.000	-0.927
H3	0.000	1.031	1.383
H4	-0.893	-0.516	1.383
H5	0.893	-0.516	1.383
H6	0.000	-1.410	-1.467
H7	-1.221	0.705	-1.467
H8	1.221	0.705	-1.467

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.9167	1.1037	1.1037	1.1037	2.8333	2.8333	2.8333
Si2	1.9167		2.5297	2.5297	2.5297	1.5105	1.5105	1.5105
H3	1.1037	2.5297		1.7861	1.7861	3.7533	3.1183	3.1183
H4	1.1037	2.5297	1.7861		1.7861	3.1183	3.1183	3.7533
H5	1.1037	2.5297	1.7861	1.7861		3.1183	3.7533	3.1183
H6	2.8333	1.5105	3.7533	3.1183	3.1183		2.4430	2.4430
H7	2.8333	1.5105	3.1183	3.1183	3.7533	2.4430		2.4430
H8	2.8333	1.5105	3.1183	3.7533	3.1183	2.4430	2.4430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.969	C1	Si2	H7	110.969
C1	Si2	H8	110.969	Si2	C1	H3	110.873
Si2	C1	H4	110.873	Si2	C1	H5	110.873
H3	C1	H4	108.034	H3	C1	H5	108.034
H4	C1	H5	108.034	H6	Si2	H7	107.933
H6	Si2	H8	107.933	H7	Si2	H8	107.933

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

using model chemistry: B3LYP/CEP-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	-0.635
2	Si	0.285
3	H	0.184
4	H	0.184
5	H	0.184
6	H	-0.067
7	H	-0.067
8	H	-0.067

<r²>	42.544
(<r²>)^1/2	6.523

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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