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	hartrees
Energy at 0K	-331.199618
Energy at 298.15K	-331.194367
Nuclear repulsion energy	62.785086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3070	2930	2.79
2	A	2225	2125	62.24
3	A	1290	1232	10.76
4	A	942	899	195.95
5	A	704	672	9.62
6	A	201	192	0.00
7	E	3162	3018	5.00
7	E	3162	3018	5.00
8	E	2227	2126	132.69
8	E	2227	2126	132.71
9	E	1464	1398	2.20
9	E	1464	1398	2.20
10	E	957	913	35.29
10	E	957	913	35.29
11	E	887	847	64.44
11	E	887	847	64.44
12	E	517	494	6.25
12	E	517	494	6.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.242
Si2	0.000	0.000	0.633
H3	-1.021	-0.000	-1.630
H4	0.511	0.884	-1.630
H5	0.511	-0.884	-1.630
H6	1.391	-0.000	1.160
H7	-0.695	1.205	1.160
H8	-0.695	-1.204	1.160

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8746	1.0925	1.0925	1.0925	2.7753	2.7753	2.7753
Si2	1.8746		2.4825	2.4825	2.4825	1.4873	1.4873	1.4873
H3	1.0925	2.4825		1.7688	1.7688	3.6880	3.0562	3.0561
H4	1.0925	2.4825	1.7688		1.7688	3.0562	3.0561	3.6880
H5	1.0925	2.4825	1.7688	1.7688		3.0561	3.6880	3.0562
H6	2.7753	1.4873	3.6880	3.0562	3.0561		2.4090	2.4090
H7	2.7753	1.4873	3.0562	3.0561	3.6880	2.4090		2.4090
H8	2.7753	1.4873	3.0561	3.6880	3.0562	2.4090	2.4090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.756	C1	Si2	H7	110.756
C1	Si2	H8	110.756	Si2	C1	H3	110.813
Si2	C1	H4	110.813	Si2	C1	H5	110.813
H3	C1	H4	108.097	H3	C1	H5	108.097
H4	C1	H5	108.097	H6	Si2	H7	108.157
H6	Si2	H8	108.157	H7	Si2	H8	108.157

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

using model chemistry: mPW1PW91/6-31G(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	-0.546
2	Si	0.025
3	H	0.163
4	H	0.163
5	H	0.163
6	H	0.011
7	H	0.011
8	H	0.011

	x	y	z	Total
	0.000	0.000	-0.871	0.871
CHELPG
AIM
ESP

<r²>	49.879
(<r²>)^1/2	7.063

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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