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	hartrees
Energy at 0K	-331.223539
Energy at 298.15K	-331.218314
Nuclear repulsion energy	62.665459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3042	2935	3.97
2	A₁	2214	2136	62.42
3	A₁	1295	1250	7.23
4	A₁	950	916	202.49
5	A₁	691	666	9.97
6	A₂	199	192	0.00
7	E	3121	3012	7.87
7	E	3121	3012	7.87
8	E	2215	2137	134.87
8	E	2215	2137	134.88
9	E	1465	1414	1.56
9	E	1465	1414	1.56
10	E	962	928	39.59
10	E	962	928	39.59
11	E	889	858	59.75
11	E	889	858	59.74
12	E	520	501	6.78
12	E	520	501	6.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.246
Si2	0.000	0.000	0.635
H3	0.000	-1.022	-1.636
H4	-0.885	0.511	-1.636
H5	0.885	0.511	-1.636
H6	0.000	1.390	1.162
H7	-1.204	-0.695	1.162
H8	1.204	-0.695	1.162

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8809	1.0941	1.0941	1.0941	2.7799	2.7799	2.7799
Si2	1.8809		2.4908	2.4908	2.4908	1.4862	1.4862	1.4862
H3	1.0941	2.4908		1.7701	1.7701	3.6940	3.0635	3.0635
H4	1.0941	2.4908	1.7701		1.7701	3.0635	3.0635	3.6940
H5	1.0941	2.4908	1.7701	1.7701		3.0635	3.6940	3.0635
H6	2.7799	1.4862	3.6940	3.0635	3.0635		2.4072	2.4072
H7	2.7799	1.4862	3.0635	3.0635	3.6940	2.4072		2.4072
H8	2.7799	1.4862	3.0635	3.6940	3.0635	2.4072	2.4072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.752	C1	Si2	H7	110.752
C1	Si2	H8	110.752	Si2	C1	H3	110.916
Si2	C1	H4	110.916	Si2	C1	H5	110.916
H3	C1	H4	107.989	H3	C1	H5	107.989
H4	C1	H5	107.989	H6	Si2	H7	108.161
H6	Si2	H8	108.161	H7	Si2	H8	108.161

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.450
2	Si	0.035
3	H	0.135
4	H	0.135
5	H	0.135
6	H	0.003
7	H	0.003
8	H	0.003

	x	y	z	Total
	0.000	0.000	-0.842	0.842
CHELPG
AIM
ESP

<r²>	50.164
(<r²>)^1/2	7.083

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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