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	hartrees
Energy at 0K	-331.262672
Energy at 298.15K	-331.268601
HF Energy	-331.262672
Nuclear repulsion energy	62.662940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3033	2934	5.59
2	A	2213	2141	65.81
3	A	1295	1253	11.26
4	A	944	913	213.59
5	A	689	667	11.29
6	A	197	191	0.00
7	E	3103	3002	8.38
7	E	3103	3002	8.38
8	E	2214	2142	140.71
8	E	2214	2142	140.72
9	E	1466	1418	2.48
9	E	1466	1418	2.48
10	E	961	930	41.69
10	E	961	930	41.70
11	E	889	860	57.57
11	E	889	860	57.57
12	E	524	507	10.34
12	E	524	507	10.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.247
Si2	0.000	0.000	0.636
H3	1.019	-0.000	-1.636
H4	-0.509	-0.882	-1.636
H5	-0.509	0.882	-1.636
H6	-1.391	-0.000	1.161
H7	0.695	-1.204	1.161
H8	0.695	1.204	1.161

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8836	1.0905	1.0905	1.0905	2.7806	2.7806	2.7806
Si2	1.8836		2.4906	2.4906	2.4906	1.4862	1.4862	1.4862
H3	1.0905	2.4906		1.7645	1.7645	3.6916	3.0623	3.0623
H4	1.0905	2.4906	1.7645		1.7645	3.0623	3.0623	3.6916
H5	1.0905	2.4906	1.7645	1.7645		3.0623	3.6916	3.0623
H6	2.7806	1.4862	3.6916	3.0623	3.0623		2.4088	2.4088
H7	2.7806	1.4862	3.0623	3.0623	3.6916	2.4088		2.4088
H8	2.7806	1.4862	3.0623	3.6916	3.0623	2.4088	2.4088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.652	C1	Si2	H7	110.652
C1	Si2	H8	110.652	Si2	C1	H3	110.903
Si2	C1	H4	110.903	Si2	C1	H5	110.903
H3	C1	H4	108.002	H3	C1	H5	108.002
H4	C1	H5	108.002	H6	Si2	H7	108.265
H6	Si2	H8	108.265	H7	Si2	H8	108.265

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

using model chemistry: B3LYPultrafine/aug-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	-0.769
2	Si	1.196
3	H	0.192
4	H	0.192
5	H	0.192
6	H	-0.335
7	H	-0.335
8	H	-0.335

<r²>	50.566
(<r²>)^1/2	7.111

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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