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	hartrees
Energy at 0K	-331.008603
Energy at 298.15K	-331.003355
Nuclear repulsion energy	62.331864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2978	2957	3.98
2	A	2149	2134	58.72
3	A	1239	1231	9.87
4	A	897	891	180.33
5	A	681	676	10.31
6	A	190	189	0.00
7	E	3058	3037	6.08
7	E	3058	3037	6.08
8	E	2157	2142	120.06
8	E	2157	2142	120.08
9	E	1413	1403	2.60
9	E	1413	1403	2.60
10	E	918	912	26.67
10	E	918	912	26.66
11	E	856	850	59.54
11	E	856	850	59.54
12	E	502	499	7.34
12	E	502	499	7.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.251
Si2	0.000	0.000	0.637
H3	-1.027	-0.000	-1.641
H4	0.513	0.889	-1.641
H5	0.514	-0.889	-1.641
H6	1.402	-0.000	1.169
H7	-0.701	1.214	1.169
H8	-0.701	-1.214	1.169

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8886	1.0984	1.0984	1.0984	2.7971	2.7971	2.7971
Si2	1.8886		2.4994	2.4994	2.4994	1.4996	1.4996	1.4996
H3	1.0984	2.4994		1.7783	1.7783	3.7146	3.0790	3.0787
H4	1.0984	2.4994	1.7783		1.7783	3.0790	3.0787	3.7146
H5	1.0984	2.4994	1.7783	1.7783		3.0787	3.7146	3.0790
H6	2.7971	1.4996	3.7146	3.0790	3.0787		2.4288	2.4288
H7	2.7971	1.4996	3.0790	3.0787	3.7146	2.4288		2.4288
H8	2.7971	1.4996	3.0787	3.7146	3.0790	2.4288	2.4288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.763	C1	Si2	H7	110.763
C1	Si2	H8	110.763	Si2	C1	H3	110.812
Si2	C1	H4	110.812	Si2	C1	H5	110.812
H3	C1	H4	108.098	H3	C1	H5	108.098
H4	C1	H5	108.098	H6	Si2	H7	108.149
H6	Si2	H8	108.149	H7	Si2	H8	108.149

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.368
2	Si	0.166
3	H	0.105
4	H	0.105
5	H	0.105
6	H	-0.038
7	H	-0.038
8	H	-0.038

<r²>	50.826
(<r²>)^1/2	7.129

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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