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	hartrees
Energy at 0K	-330.970309
Energy at 298.15K	-330.965052
Nuclear repulsion energy	62.179236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2989	2955	7.28
2	A	2167	2142	71.45
3	A	1254	1239	16.54
4	A	902	891	197.45
5	A	678	670	9.67
6	A	187	185	0.00
7	E	3079	3044	6.53
7	E	3079	3044	6.53
8	E	2175	2150	154.24
8	E	2175	2150	154.27
9	E	1423	1406	6.36
9	E	1423	1406	6.36
10	E	924	913	28.47
10	E	924	913	28.47
11	E	864	854	64.59
11	E	864	854	64.59
12	E	502	496	7.98
12	E	502	496	7.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.254
Si2	0.000	0.000	0.640
H3	-1.030	-0.000	-1.647
H4	0.515	0.892	-1.647
H5	0.515	-0.892	-1.647
H6	1.403	-0.000	1.171
H7	-0.702	1.216	1.171
H8	-0.702	-1.215	1.171

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8940	1.1022	1.1022	1.1022	2.8025	2.8025	2.8025
Si2	1.8940		2.5079	2.5079	2.5079	1.5009	1.5009	1.5009
H3	1.1022	2.5079		1.7837	1.7837	3.7236	3.0871	3.0867
H4	1.1022	2.5079	1.7837		1.7837	3.0871	3.0867	3.7236
H5	1.1022	2.5079	1.7837	1.7837		3.0867	3.7236	3.0871
H6	2.8025	1.5009	3.7236	3.0871	3.0867		2.4309	2.4309
H7	2.8025	1.5009	3.0871	3.0867	3.7236	2.4309		2.4309
H8	2.8025	1.5009	3.0867	3.7236	3.0871	2.4309	2.4309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.753	C1	Si2	H7	110.753
C1	Si2	H8	110.753	Si2	C1	H3	110.875
Si2	C1	H4	110.875	Si2	C1	H5	110.875
H3	C1	H4	108.031	H3	C1	H5	108.031
H4	C1	H5	108.031	H6	Si2	H7	108.160
H6	Si2	H8	108.160	H7	Si2	H8	108.160

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

using model chemistry: PBEPBE/6-31+G**

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	-0.752
2	Si	0.390
3	H	0.192
4	H	0.192
5	H	0.192
6	H	-0.072
7	H	-0.072
8	H	-0.072

<r²>	51.073
(<r²>)^1/2	7.147

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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