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	hartrees
Energy at 0K	-331.000735
Energy at 298.15K	-330.995494
Nuclear repulsion energy	62.282506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2980	2953	5.02
2	A₁	2158	2138	61.45
3	A₁	1249	1238	13.94
4	A₁	902	894	197.33
5	A₁	681	674	9.87
6	A₂	192	190	0.00
7	E	3062	3035	7.19
7	E	3062	3035	7.20
8	E	2165	2145	125.22
8	E	2165	2145	125.25
9	E	1418	1405	4.96
9	E	1418	1405	4.96
10	E	923	915	29.38
10	E	923	915	29.38
11	E	863	855	68.02
11	E	863	855	68.02
12	E	504	500	8.28
12	E	504	500	8.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.252
Si2	0.000	0.000	0.638
H3	0.000	-1.028	-1.644
H4	-0.890	0.514	-1.644
H5	0.890	0.514	-1.644
H6	0.000	1.403	1.169
H7	-1.215	-0.702	1.169
H8	1.215	-0.702	1.169

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8896	1.1002	1.1002	1.1002	2.7980	2.7980	2.7980
Si2	1.8896		2.5025	2.5025	2.5025	1.5004	1.5004	1.5004
H3	1.1002	2.5025		1.7805	1.7805	3.7179	3.0814	3.0814
H4	1.1002	2.5025	1.7805		1.7805	3.0814	3.0814	3.7179
H5	1.1002	2.5025	1.7805	1.7805		3.0814	3.7179	3.0814
H6	2.7980	1.5004	3.7179	3.0814	3.0814		2.4305	2.4305
H7	2.7980	1.5004	3.0814	3.0814	3.7179	2.4305		2.4305
H8	2.7980	1.5004	3.0814	3.7179	3.0814	2.4305	2.4305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.733	C1	Si2	H7	110.733
C1	Si2	H8	110.733	Si2	C1	H3	110.877
Si2	C1	H4	110.877	Si2	C1	H5	110.877
H3	C1	H4	108.030	H3	C1	H5	108.030
H4	C1	H5	108.030	H6	Si2	H7	108.181
H6	Si2	H8	108.181	H7	Si2	H8	108.181

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

using model chemistry: PBEPBE/6-311G**

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	-0.647
2	Si	0.477
3	H	0.152
4	H	0.152
5	H	0.152
6	H	-0.096
7	H	-0.096
8	H	-0.096

<r²>	50.892
(<r²>)^1/2	7.134

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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