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	hartrees
Energy at 0K	-331.261189
Energy at 298.15K	-331.255961
Nuclear repulsion energy	62.808263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3028	2929	5.33
2	A₁	2215	2142	66.01
3	A₁	1298	1255	13.13
4	A₁	950	918	214.84
5	A₁	695	672	11.36
6	A₂	198	192	0.00
7	E	3100	2998	8.34
7	E	3100	2998	8.34
8	E	2214	2141	139.34
8	E	2214	2141	139.36
9	E	1467	1419	2.64
9	E	1467	1419	2.64
10	E	963	931	41.65
10	E	963	931	41.66
11	E	889	860	58.36
11	E	889	860	58.36
12	E	524	507	9.82
12	E	524	507	9.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.243
Si2	0.000	0.000	0.634
H3	0.000	-1.019	-1.632
H4	-0.882	0.509	-1.632
H5	0.882	0.509	-1.632
H6	0.000	1.388	1.158
H7	-1.202	-0.694	1.158
H8	1.202	-0.694	1.158

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8771	1.0906	1.0906	1.0906	2.7733	2.7733	2.7733
Si2	1.8771		2.4846	2.4846	2.4846	1.4833	1.4833	1.4833
H3	1.0906	2.4846		1.7648	1.7648	3.6847	3.0553	3.0553
H4	1.0906	2.4846	1.7648		1.7648	3.0553	3.0553	3.6847
H5	1.0906	2.4846	1.7648	1.7648		3.0553	3.6847	3.0553
H6	2.7733	1.4833	3.6847	3.0553	3.0553		2.4034	2.4034
H7	2.7733	1.4833	3.0553	3.0553	3.6847	2.4034		2.4034
H8	2.7733	1.4833	3.0553	3.6847	3.0553	2.4034	2.4034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.693	C1	Si2	H7	110.693
C1	Si2	H8	110.693	Si2	C1	H3	110.896
Si2	C1	H4	110.896	Si2	C1	H5	110.896
H3	C1	H4	108.009	H3	C1	H5	108.009
H4	C1	H5	108.009	H6	Si2	H7	108.222
H6	Si2	H8	108.222	H7	Si2	H8	108.222

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.624
2	Si	0.416
3	H	0.148
4	H	0.148
5	H	0.148
6	H	-0.079
7	H	-0.079
8	H	-0.079

<r²>	50.357
(<r²>)^1/2	7.096

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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