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	hartrees
Energy at 0K	-409.823846
Energy at 298.15K	-409.833273
HF Energy	-409.823846
Nuclear repulsion energy	174.581860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	2999	36.44
2	A₁	3061	2916	4.12
3	A₁	2181	2077	201.98
4	A₁	1484	1414	16.46
5	A₁	1317	1255	11.72
6	A₁	884	842	66.48
7	A₁	633	603	1.74
8	A₁	231	220	2.11
9	A₂	3152	3003	0.00
10	A₂	1459	1389	0.00
11	A₂	696	663	0.00
12	A₂	92	87	0.00
13	E	3153	3003	20.71
13	E	3153	3003	20.76
14	E	3147	2998	2.24
14	E	3147	2998	2.24
15	E	3061	2916	12.43
15	E	3061	2916	12.44
16	E	1472	1403	7.77
16	E	1472	1403	7.77
17	E	1466	1397	0.08
17	E	1466	1397	0.08
18	E	1308	1246	51.24
18	E	1308	1246	51.21
19	E	931	887	182.99
19	E	931	887	182.89
20	E	864	823	9.30
20	E	864	823	9.23
21	E	726	691	11.32
21	E	726	691	11.36
22	E	621	592	9.63
22	E	621	592	9.65
23	E	204	194	1.11
23	E	203	194	1.10
24	E	119	114	0.00
24	E	119	114	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.327
H2	0.000	0.000	1.839
C3	0.000	1.546	-0.200
C4	1.339	-0.773	-0.200
C5	-1.339	-0.773	-0.200
H6	0.000	1.560	-1.242
H7	1.351	-0.780	-1.242
H8	-1.351	-0.780	-1.242
H9	-0.854	2.045	0.151
H10	0.854	2.045	0.151
H11	2.198	-0.283	0.151
H12	1.344	-1.762	0.151
H13	-1.344	-1.762	0.151
H14	-2.198	-0.283	0.151

	Si1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
Si1		1.5124	1.6334	1.6334	1.6334	2.2123	2.2123	2.2123	2.2230	2.2230	2.2230	2.2230	2.2230	2.2230
H2	1.5124		2.5589	2.5589	2.5589	3.4536	3.4536	3.4536	2.7859	2.7859	2.7859	2.7859	2.7859	2.7859
C3	1.6334	2.5589		2.6781	2.6781	1.0426	2.8847	2.8847	1.0492	1.0492	2.8808	3.5880	3.5880	2.8808
C4	1.6334	2.5589	2.6781		2.6781	2.8847	1.0426	2.8847	3.5880	2.8808	1.0492	1.0492	2.8808	3.5880
C5	1.6334	2.5589	2.6781	2.6781		2.8847	2.8847	1.0426	2.8808	3.5880	3.5880	2.8808	1.0492	1.0492
H6	2.2123	3.4536	1.0426	2.8847	2.8847		2.7013	2.7013	1.7045	1.7045	3.1884	3.8445	3.8445	3.1884
H7	2.2123	3.4536	2.8847	1.0426	2.8847	2.7013		2.7013	3.8445	3.1884	1.7045	1.7045	3.1884	3.8445
H8	2.2123	3.4536	2.8847	2.8847	1.0426	2.7013	2.7013		3.1884	3.8445	3.8445	3.1884	1.7045	1.7045
H9	2.2230	2.7859	1.0492	3.5880	2.8808	1.7045	3.8445	3.1884		1.7080	3.8383	4.3959	3.8383	2.6879
H10	2.2230	2.7859	1.0492	2.8808	3.5880	1.7045	3.1884	3.8445	1.7080		2.6879	3.8383	4.3959	3.8383
H11	2.2230	2.7859	2.8808	1.0492	3.5880	3.1884	1.7045	3.8445	3.8383	2.6879		1.7080	3.8383	4.3959
H12	2.2230	2.7859	3.5880	1.0492	2.8808	3.8445	1.7045	3.1884	4.3959	3.8383	1.7080		2.6879	3.8383
H13	2.2230	2.7859	3.5880	2.8808	1.0492	3.8445	3.1884	1.7045	3.8383	4.3959	3.8383	2.6879		1.7080
H14	2.2230	2.7859	2.8808	3.5880	1.0492	3.1884	3.8445	1.7045	2.6879	3.8383	4.3959	3.8383	1.7080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C3	H6	109.541	Si1	C3	H9	110.012
Si1	C3	H10	110.012	Si1	C4	H7	109.541
Si1	C4	H11	110.012	Si1	C4	H12	110.012
Si1	C5	H8	109.541	Si1	C5	H13	110.012
Si1	C5	H14	110.012	H2	Si1	C3	108.805
H2	Si1	C4	108.805	H2	Si1	C5	108.805
C3	Si1	C4	110.129	C3	Si1	C5	110.129
C4	Si1	C5	110.129	H6	C3	H9	109.146
H6	C3	H10	109.146	H7	C4	H11	109.145
H7	C4	H12	109.146	H8	C5	H13	109.146
H8	C5	H14	109.145	H9	C3	H10	108.964
H11	C4	H12	108.964	H13	C5	H14	108.964

All results from a given calculation for SiH(CH₃)₃ (trimethylsilane)

using model chemistry: wB97X-D/cc-pVDZ

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	Si	0.760
2	H	-0.130
3	C	-0.726
4	C	-0.726
5	C	-0.726
6	H	0.170
7	H	0.170
8	H	0.170
9	H	0.173
10	H	0.173
11	H	0.173
12	H	0.173
13	H	0.173
14	H	0.173

	x	y	z
x	9.274	0.000	0.000
y	0.000	9.274	0.001
z	0.000	0.001	8.362

<r²>	138.517
(<r²>)^1/2	11.769

All results from a given calculation for SiH(CH3)3 (trimethylsilane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for SiH(CH₃)₃ (trimethylsilane)