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	hartrees
Energy at 0K	-873.063150
Energy at 298.15K	-873.070862
HF Energy	-872.793607
Nuclear repulsion energy	192.905438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2247	2247	140.20
2	A₁	2239	2239	15.97
3	A₁	2216	2216	66.11
4	A₁	970	970	71.20
5	A₁	945	945	2.29
6	A₁	907	907	191.08
7	A₁	574	574	6.30
8	A₁	388	388	0.57
9	A₁	97	97	1.37
10	A₂	2244	2244	0.00
11	A₂	963	963	0.00
12	A₂	719	719	0.00
13	A₂	424	424	0.00
14	A₂	90	90	0.00
15	B₁	2249	2249	233.80
16	B₁	2224	2224	26.48
17	B₁	967	967	75.74
18	B₁	605	605	9.71
19	B₁	321	321	20.00
20	B₁	106	106	0.07
21	B₂	2246	2246	77.88
22	B₂	2235	2235	96.48
23	B₂	963	963	37.05
24	B₂	895	895	325.10
25	B₂	731	731	298.62
26	B₂	467	467	8.42
27	B₂	440	440	16.54

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.896
Si2	0.000	1.937	-0.421
Si3	0.000	-1.937	-0.421
H4	1.198	0.000	1.770
H5	-1.198	0.000	1.770
H6	0.000	3.152	0.422
H7	0.000	-3.152	0.422
H8	1.200	1.960	-1.285
H9	-1.200	1.960	-1.285
H10	-1.200	-1.960	-1.285
H11	1.200	-1.960	-1.285

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3423	2.3423	1.4825	1.4825	3.1877	3.1877	3.1693	3.1693	3.1693	3.1693
Si2	2.3423		3.8730	3.1600	3.1600	1.4791	5.1579	1.4794	1.4794	4.1682	4.1682
Si3	2.3423	3.8730		3.1600	3.1600	5.1579	1.4791	4.1682	4.1682	1.4794	1.4794
H4	1.4825	3.1600	3.1600		2.3960	3.6317	3.6317	3.6300	4.3508	4.3508	3.6300
H5	1.4825	3.1600	3.1600	2.3960		3.6317	3.6317	4.3508	3.6300	3.6300	4.3508
H6	3.1877	1.4791	5.1579	3.6317	3.6317		6.3043	2.4031	2.4031	5.5220	5.5220
H7	3.1877	5.1579	1.4791	3.6317	3.6317	6.3043		5.5220	5.5220	2.4031	2.4031
H8	3.1693	1.4794	4.1682	3.6300	4.3508	2.4031	5.5220		2.4010	4.5974	3.9207
H9	3.1693	1.4794	4.1682	4.3508	3.6300	2.4031	5.5220	2.4010		3.9207	4.5974
H10	3.1693	4.1682	1.4794	4.3508	3.6300	5.5220	2.4031	4.5974	3.9207		2.4010
H11	3.1693	4.1682	1.4794	3.6300	4.3508	5.5220	2.4031	3.9207	4.5974	2.4010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.038	S1	S2	H8	109.995
S1	S2	H9	109.995	S1	S3	H7	111.038
S1	S3	H10	109.995	S1	S3	H11	109.995
S2	S1	S3	111.536	S2	S1	H4	109.352
S2	S1	H5	109.352	S3	S1	H4	109.352
S3	S1	H5	109.352	H4	S1	H5	107.821
H6	S2	H8	108.638	H6	S2	H9	108.638
H7	S3	H10	108.638	H7	S3	H11	108.638
H8	S2	H9	108.478	H10	S3	H11	108.478

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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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All results from a given calculation for Si3H8 (trisilane)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)