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	hartrees
Energy at 0K	-331.271468
Energy at 298.15K	-331.277394
Nuclear repulsion energy	62.793526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3032	2938	5.33
2	A	2221	2152	65.63
3	A	1295	1255	12.32
4	A	950	921	216.22
5	A	692	670	11.45
6	A	196	190	0.00
7	E	3104	3008	8.25
7	E	3104	3008	8.25
8	E	2217	2148	140.65
8	E	2217	2148	140.68
9	E	1466	1420	2.50
9	E	1466	1420	2.50
10	E	964	934	42.59
10	E	964	934	42.59
11	E	890	862	58.06
11	E	890	862	58.06
12	E	524	508	10.13
12	E	524	508	10.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.244
Si2	0.000	0.000	0.635
H3	-1.019	-0.000	-1.632
H4	0.509	0.882	-1.632
H5	0.509	-0.882	-1.632
H6	1.387	-0.000	1.158
H7	-0.694	1.201	1.158
H8	-0.694	-1.201	1.158

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8791	1.0898	1.0898	1.0898	2.7741	2.7741	2.7741
Si2	1.8791		2.4851	2.4851	2.4851	1.4827	1.4827	1.4827
H3	1.0898	2.4851		1.7642	1.7642	3.6841	3.0550	3.0550
H4	1.0898	2.4851	1.7642		1.7642	3.0550	3.0550	3.6841
H5	1.0898	2.4851	1.7642	1.7642		3.0550	3.6841	3.0550
H6	2.7741	1.4827	3.6841	3.0550	3.0550		2.4029	2.4029
H7	2.7741	1.4827	3.0550	3.0550	3.6841	2.4029		2.4029
H8	2.7741	1.4827	3.0550	3.6841	3.0550	2.4029	2.4029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.666	C1	Si2	H7	110.666
C1	Si2	H8	110.666	Si2	C1	H3	110.837
Si2	C1	H4	110.837	Si2	C1	H5	110.837
H3	C1	H4	108.071	H3	C1	H5	108.071
H4	C1	H5	108.071	H6	Si2	H7	108.251
H6	Si2	H8	108.251	H7	Si2	H8	108.251

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-1.019
2	Si	1.170
3	H	0.225
4	H	0.225
5	H	0.225
6	H	-0.276
7	H	-0.276
8	H	-0.276

<r²>	50.383
(<r²>)^1/2	7.098

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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