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	hartrees
Energy at 0K	-872.923429
Energy at 298.15K	-872.930961
HF Energy	-872.923429
Nuclear repulsion energy	192.837416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2219	2219	128.69
2	A₁	2209	2209	9.42
3	A₁	2191	2191	56.11
4	A₁	943	943	64.22
5	A₁	918	918	0.42
6	A₁	878	878	170.72
7	A₁	560	560	4.71
8	A₁	388	388	0.52
9	A₁	94	94	1.18
10	A₂	2217	2217	0.00
11	A₂	935	935	0.00
12	A₂	703	703	0.00
13	A₂	410	410	0.00
14	A₂	79	79	0.00
15	B₁	2222	2222	209.09
16	B₁	2200	2200	17.10
17	B₁	940	940	65.03
18	B₁	588	588	8.58
19	B₁	308	308	16.05
20	B₁	96	96	0.06
21	B₂	2218	2218	60.25
22	B₂	2205	2205	94.98
23	B₂	936	936	33.11
24	B₂	866	866	291.93
25	B₂	707	707	267.43
26	B₂	463	463	4.86
27	B₂	427	427	16.91

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.900
Si2	0.000	1.930	-0.423
Si3	0.000	-1.930	-0.423
H4	1.205	0.000	1.777
H5	-1.205	0.000	1.777
H6	0.000	3.156	0.420
H7	0.000	-3.156	0.420
H8	1.207	1.951	-1.292
H9	-1.207	1.951	-1.292
H10	-1.207	-1.951	-1.292
H11	1.207	-1.951	-1.292

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3401	2.3401	1.4903	1.4903	3.1923	3.1923	3.1729	3.1729	3.1729	3.1729
Si2	2.3401		3.8605	3.1650	3.1650	1.4874	5.1555	1.4875	1.4875	4.1562	4.1562
Si3	2.3401	3.8605		3.1650	3.1650	5.1555	1.4874	4.1562	4.1562	1.4875	1.4875
H4	1.4903	3.1650	3.1650		2.4098	3.6406	3.6406	3.6365	4.3637	4.3637	3.6365
H5	1.4903	3.1650	3.1650	2.4098		3.6406	3.6406	4.3637	3.6365	3.6365	4.3637
H6	3.1923	1.4874	5.1555	3.6406	3.6406		6.3119	2.4165	2.4165	5.5195	5.5195
H7	3.1923	5.1555	1.4874	3.6406	3.6406	6.3119		5.5195	5.5195	2.4165	2.4165
H8	3.1729	1.4875	4.1562	3.6365	4.3637	2.4165	5.5195		2.4143	4.5881	3.9015
H9	3.1729	1.4875	4.1562	4.3637	3.6365	2.4165	5.5195	2.4143		3.9015	4.5881
H10	3.1729	4.1562	1.4875	4.3637	3.6365	5.5195	2.4165	4.5881	3.9015		2.4143
H11	3.1729	4.1562	1.4875	3.6365	4.3637	5.5195	2.4165	3.9015	4.5881	2.4143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.067	S1	S2	H8	109.978
S1	S2	H9	109.978	S1	S3	H7	111.067
S1	S3	H10	109.978	S1	S3	H11	109.978
S2	S1	S3	111.147	S2	S1	H4	109.433
S2	S1	H5	109.433	S3	S1	H4	109.433
S3	S1	H5	109.433	H4	S1	H5	107.898
H6	S2	H8	108.637	H6	S2	H9	108.637
H7	S3	H10	108.637	H7	S3	H11	108.637
H8	S2	H9	108.487	H10	S3	H11	108.487

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: PBE1PBE/Def2TZVPP

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	0.098
2	Si	0.124
3	Si	0.124
4	H	-0.047
5	H	-0.047
6	H	-0.043
7	H	-0.043
8	H	-0.042
9	H	-0.042
10	H	-0.042
11	H	-0.042

<r²>	206.783
(<r²>)^1/2	14.380

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: PBE1PBE/Def2TZVPP

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)