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	hartrees
Energy at 0K	-331.186062
Energy at 298.15K	-331.180803
Nuclear repulsion energy	62.614566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2923	3.96
2	A₁	2254	2138	77.06
3	A₁	1334	1265	19.05
4	A₁	945	896	219.47
5	A₁	703	667	7.61
6	A₂	195	185	0.00
7	E	3170	3006	7.02
7	E	3170	3006	7.02
8	E	2258	2141	183.45
8	E	2258	2141	183.47
9	E	1499	1421	4.65
9	E	1499	1421	4.65
10	E	959	910	41.10
10	E	959	910	41.10
11	E	905	858	75.60
11	E	905	858	75.59
12	E	521	494	8.45
12	E	521	494	8.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.246
Si2	0.000	0.000	0.635
H3	0.000	-1.021	-1.638
H4	-0.885	0.511	-1.638
H5	0.885	0.511	-1.638
H6	0.000	1.391	1.166
H7	-1.205	-0.696	1.166
H8	1.205	-0.696	1.166

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8817	1.0939	1.0939	1.0939	2.7846	2.7846	2.7846
Si2	1.8817		2.4921	2.4921	2.4921	1.4891	1.4891	1.4891
H3	1.0939	2.4921		1.7692	1.7692	3.6989	3.0689	3.0689
H4	1.0939	2.4921	1.7692		1.7692	3.0689	3.0689	3.6989
H5	1.0939	2.4921	1.7692	1.7692		3.0689	3.6989	3.0689
H6	2.7846	1.4891	3.6989	3.0689	3.0689		2.4100	2.4100
H7	2.7846	1.4891	3.0689	3.0689	3.6989	2.4100		2.4100
H8	2.7846	1.4891	3.0689	3.6989	3.0689	2.4100	2.4100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.865	C1	Si2	H7	110.865
C1	Si2	H8	110.865	Si2	C1	H3	110.968
Si2	C1	H4	110.968	Si2	C1	H5	110.968
H3	C1	H4	107.933	H3	C1	H5	107.933
H4	C1	H5	107.933	H6	Si2	H7	108.043
H6	Si2	H8	108.043	H7	Si2	H8	108.043

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

using model chemistry: mPW1PW91/6-31G*

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	-0.758
2	Si	0.378
3	H	0.199
4	H	0.199
5	H	0.199
6	H	-0.073
7	H	-0.073
8	H	-0.073

<r²>	50.202
(<r²>)^1/2	7.085

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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