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	hartrees
Energy at 0K	-409.663893
Energy at 298.15K	-409.673508
HF Energy	-409.663893
Nuclear repulsion energy	174.847844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	3004	26.96
2	A₁	3045	2927	2.82
3	A₁	2171	2086	155.37
4	A₁	1467	1410	9.56
5	A₁	1285	1235	5.79
6	A₁	872	838	62.54
7	A₁	621	597	1.76
8	A₁	238	229	1.38
9	A₂	3130	3008	0.00
10	A₂	1445	1389	0.00
11	A₂	682	655	0.00
12	A₂	148	142	0.00
13	E	3130	3008	15.89
13	E	3130	3008	15.88
14	E	3124	3003	1.19
14	E	3124	3003	1.19
15	E	3045	2926	6.58
15	E	3045	2926	6.58
16	E	1459	1402	2.98
16	E	1459	1402	2.98
17	E	1449	1393	0.10
17	E	1449	1393	0.10
18	E	1275	1226	33.59
18	E	1275	1226	33.57
19	E	912	876	159.62
19	E	912	876	159.63
20	E	851	818	15.98
20	E	851	818	15.97
21	E	713	685	12.48
21	E	713	685	12.48
22	E	616	592	8.82
22	E	616	592	8.82
23	E	202	194	0.73
23	E	202	194	0.73
24	E	160	154	0.00
24	E	160	154	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.374
H2	0.000	0.000	1.872
C3	0.000	1.784	-0.222
C4	1.545	-0.892	-0.222
C5	-1.545	-0.892	-0.222
H6	0.000	1.831	-1.313
H7	1.586	-0.916	-1.313
H8	-1.586	-0.916	-1.313
H9	-0.882	2.318	0.136
H10	0.882	2.318	0.136
H11	2.448	-0.395	0.136
H12	1.566	-1.923	0.136
H13	-1.566	-1.923	0.136
H14	-2.448	-0.395	0.136

	Si1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
Si1		1.4972	1.8808	1.8808	1.8808	2.4903	2.4903	2.4903	2.4915	2.4915	2.4915	2.4915	2.4915	2.4915
H2	1.4972		2.7503	2.7503	2.7503	3.6738	3.6738	3.6738	3.0268	3.0268	3.0268	3.0268	3.0268	3.0268
C3	1.8808	2.7503		3.0896	3.0896	1.0925	3.3155	3.3155	1.0918	1.0918	3.2969	4.0400	4.0400	3.2969
C4	1.8808	2.7503	3.0896		3.0896	3.3155	1.0925	3.3155	4.0400	3.2969	1.0918	1.0918	3.2969	4.0400
C5	1.8808	2.7503	3.0896	3.0896		3.3155	3.3155	1.0925	3.2969	4.0400	4.0400	3.2969	1.0918	1.0918
H6	2.4903	3.6738	1.0925	3.3155	3.3155		3.1716	3.1716	1.7656	1.7656	3.6128	4.3184	4.3184	3.6128
H7	2.4903	3.6738	3.3155	1.0925	3.3155	3.1716		3.1716	4.3184	3.6128	1.7656	1.7656	3.6128	4.3184
H8	2.4903	3.6738	3.3155	3.3155	1.0925	3.1716	3.1716		3.6128	4.3184	4.3184	3.6128	1.7656	1.7656
H9	2.4915	3.0268	1.0918	4.0400	3.2969	1.7656	4.3184	3.6128		1.7646	4.2956	4.8969	4.2956	3.1324
H10	2.4915	3.0268	1.0918	3.2969	4.0400	1.7656	3.6128	4.3184	1.7646		3.1324	4.2956	4.8969	4.2956
H11	2.4915	3.0268	3.2969	1.0918	4.0400	3.6128	1.7656	4.3184	4.2956	3.1324		1.7646	4.2956	4.8969
H12	2.4915	3.0268	4.0400	1.0918	3.2969	4.3184	1.7656	3.6128	4.8969	4.2956	1.7646		3.1324	4.2956
H13	2.4915	3.0268	4.0400	3.2969	1.0918	4.3184	3.6128	1.7656	4.2956	4.8969	4.2956	3.1324		1.7646
H14	2.4915	3.0268	3.2969	4.0400	1.0918	3.6128	4.3184	1.7656	3.1324	4.2956	4.8969	4.2956	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C3	H6	110.968	Si1	C3	H9	111.093
Si1	C3	H10	111.093	Si1	C4	H7	110.968
Si1	C4	H11	111.093	Si1	C4	H12	111.093
Si1	C5	H8	110.968	Si1	C5	H13	111.093
Si1	C5	H14	111.093	H2	Si1	C3	108.484
H2	Si1	C4	108.484	H2	Si1	C5	108.484
C3	Si1	C4	110.440	C3	Si1	C5	110.440
C4	Si1	C5	110.440	H6	C3	H9	107.860
H6	C3	H10	107.860	H7	C4	H11	107.860
H7	C4	H12	107.860	H8	C5	H13	107.860
H8	C5	H14	107.860	H9	C3	H10	107.818
H11	C4	H12	107.818	H13	C5	H14	107.818

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

using model chemistry: HSEh1PBE/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	Si	0.319
2	H	-0.056
3	C	-0.389
4	C	-0.389
5	C	-0.389
6	H	0.099
7	H	0.099
8	H	0.099
9	H	0.101
10	H	0.101
11	H	0.101
12	H	0.101
13	H	0.101
14	H	0.101

	x	y	z
x	9.760	0.000	0.000
y	0.000	9.761	-0.000
z	0.000	-0.000	8.647

<r²>	138.196
(<r²>)^1/2	11.756

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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