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	hartrees
Energy at 0K	-331.151134
Energy at 298.15K	-331.156966
Nuclear repulsion energy	61.813756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2959	2964	8.10
2	A₁	2129	2133	63.06
3	A₁	1234	1236	3.35
4	A₁	908	909	190.84
5	A₁	660	661	10.50
6	A₂	197	198	0.00
7	E	3038	3043	9.19
7	E	3038	3043	9.19
8	E	2137	2140	131.47
8	E	2137	2140	131.49
9	E	1401	1403	1.58
9	E	1401	1403	1.58
10	E	928	930	31.28
10	E	928	930	31.28
11	E	858	860	58.19
11	E	858	860	58.19
12	E	506	507	7.11
12	E	506	507	7.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.263
Si2	0.000	0.000	0.644
H3	0.000	-1.037	-1.657
H4	-0.898	0.518	-1.657
H5	0.898	0.518	-1.657
H6	0.000	1.410	1.175
H7	-1.221	-0.705	1.175
H8	1.221	-0.705	1.175

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.9071	1.1092	1.1092	1.1092	2.8164	2.8164	2.8164
Si2	1.9071		2.5241	2.5241	2.5241	1.5069	1.5069	1.5069
H3	1.1092	2.5241		1.7957	1.7957	3.7429	3.1020	3.1020
H4	1.1092	2.5241	1.7957		1.7957	3.1020	3.1020	3.7429
H5	1.1092	2.5241	1.7957	1.7957		3.1020	3.7429	3.1020
H6	2.8164	1.5069	3.7429	3.1020	3.1020		2.4428	2.4428
H7	2.8164	1.5069	3.1020	3.1020	3.7429	2.4428		2.4428
H8	2.8164	1.5069	3.1020	3.7429	3.1020	2.4428	2.4428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.622	C1	Si2	H7	110.622
C1	Si2	H8	110.622	Si2	C1	H3	110.823
Si2	C1	H4	110.823	Si2	C1	H5	110.823
H3	C1	H4	108.086	H3	C1	H5	108.086
H4	C1	H5	108.086	H6	Si2	H7	108.297
H6	Si2	H8	108.297	H7	Si2	H8	108.297

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

using model chemistry: BLYP/cc-pVDZ

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	-0.123
2	Si	0.234
3	H	0.031
4	H	0.031
5	H	0.031
6	H	-0.068
7	H	-0.068
8	H	-0.068

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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