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	hartrees
Energy at 0K	-409.672362
Energy at 298.15K	-409.682034
HF Energy	-409.453422
Nuclear repulsion energy	174.772225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	2995	32.20
2	A₁	3046	2922	2.96
3	A₁	2204	2114	162.24
4	A₁	1488	1427	8.19
5	A₁	1306	1253	5.20
6	A₁	881	845	58.62
7	A₁	620	595	2.14
8	A₁	241	231	2.01
9	A₂	3125	2998	0.00
10	A₂	1467	1407	0.00
11	A₂	691	663	0.00
12	A₂	148	142	0.00
13	E	3126	2999	19.43
13	E	3126	2999	19.45
14	E	3120	2993	1.28
14	E	3120	2993	1.29
15	E	3046	2922	7.73
15	E	3046	2922	7.73
16	E	1480	1420	2.28
16	E	1480	1420	2.28
17	E	1471	1411	0.08
17	E	1471	1411	0.08
18	E	1297	1244	29.11
18	E	1297	1244	29.11
19	E	927	889	162.26
19	E	927	889	162.28
20	E	860	825	17.60
20	E	860	825	17.62
21	E	713	684	14.95
21	E	713	684	14.94
22	E	626	601	10.11
22	E	626	600	10.12
23	E	203	194	0.96
23	E	203	194	0.96
24	E	164	158	0.00
24	E	164	158	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.327
H2	0.000	0.000	1.838
C3	0.000	1.547	-0.200
C4	1.340	-0.773	-0.200
C5	-1.340	-0.773	-0.200
H6	0.000	1.561	-1.241
H7	1.352	-0.780	-1.241
H8	-1.352	-0.780	-1.241
H9	-0.853	2.046	0.150
H10	0.853	2.046	0.150
H11	2.198	-0.284	0.150
H12	1.345	-1.761	0.150
H13	-1.345	-1.761	0.150
H14	-2.198	-0.284	0.150

	Si1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
Si1		1.5114	1.6341	1.6341	1.6341	2.2124	2.2124	2.2124	2.2234	2.2234	2.2234	2.2234	2.2234	2.2234
H2	1.5114		2.5587	2.5587	2.5587	3.4523	3.4523	3.4523	2.7863	2.7863	2.7863	2.7863	2.7863	2.7863
C3	1.6341	2.5587		2.6793	2.6793	1.0413	2.8858	2.8858	1.0480	1.0480	2.8822	3.5884	3.5884	2.8822
C4	1.6341	2.5587	2.6793		2.6793	2.8858	1.0413	2.8858	3.5884	2.8822	1.0480	1.0480	2.8822	3.5884
C5	1.6341	2.5587	2.6793	2.6793		2.8858	2.8858	1.0413	2.8822	3.5884	3.5884	2.8822	1.0480	1.0480
H6	2.2124	3.4523	1.0413	2.8858	2.8858		2.7036	2.7036	1.7019	1.7019	3.1892	3.8447	3.8447	3.1892
H7	2.2124	3.4523	2.8858	1.0413	2.8858	2.7036		2.7036	3.8447	3.1892	1.7019	1.7019	3.1892	3.8447
H8	2.2124	3.4523	2.8858	2.8858	1.0413	2.7036	2.7036		3.1892	3.8447	3.8447	3.1892	1.7019	1.7019
H9	2.2234	2.7863	1.0480	3.5884	2.8822	1.7019	3.8447	3.1892		1.7055	3.8389	4.3961	3.8389	2.6906
H10	2.2234	2.7863	1.0480	2.8822	3.5884	1.7019	3.1892	3.8447	1.7055		2.6906	3.8389	4.3961	3.8389
H11	2.2234	2.7863	2.8822	1.0480	3.5884	3.1892	1.7019	3.8447	3.8389	2.6906		1.7055	3.8389	4.3961
H12	2.2234	2.7863	3.5884	1.0480	2.8822	3.8447	1.7019	3.1892	4.3961	3.8389	1.7055		2.6906	3.8389
H13	2.2234	2.7863	3.5884	2.8822	1.0480	3.8447	3.1892	1.7019	3.8389	4.3961	3.8389	2.6906		1.7055
H14	2.2234	2.7863	2.8822	3.5884	1.0480	3.1892	3.8447	1.7019	2.6906	3.8389	4.3961	3.8389	1.7055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C3	H6	109.574	Si1	C3	H9	110.063
Si1	C3	H10	110.063	Si1	C4	H7	109.574
Si1	C4	H11	110.063	Si1	C4	H12	110.063
Si1	C5	H8	109.574	Si1	C5	H13	110.063
Si1	C5	H14	110.063	H2	Si1	C3	108.803
H2	Si1	C4	108.803	H2	Si1	C5	108.803
C3	Si1	C4	110.131	C3	Si1	C5	110.131
C4	Si1	C5	110.131	H6	C3	H9	109.098
H6	C3	H10	109.098	H7	C4	H11	109.098
H7	C4	H12	109.098	H8	C5	H13	109.098
H8	C5	H14	109.098	H9	C3	H10	108.921
H11	C4	H12	108.921	H13	C5	H14	108.921

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

using model chemistry: B2PLYP/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	0.409
2	H	-0.075
3	C	-0.414
4	C	-0.414
5	C	-0.414
6	H	0.100
7	H	0.100
8	H	0.100
9	H	0.101
10	H	0.101
11	H	0.101
12	H	0.101
13	H	0.101
14	H	0.101

<r²>	138.660
(<r²>)^1/2	11.775

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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