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	hartrees
Energy at 0K	-872.818210
Energy at 298.15K	-872.825963
HF Energy	-872.719332
Nuclear repulsion energy	192.315754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2276	2167	190.65
2	A₁	2267	2159	17.57
3	A₁	2242	2136	91.49
4	A₁	979	933	82.45
5	A₁	955	910	6.56
6	A₁	919	876	207.89
7	A₁	583	555	9.09
8	A₁	394	375	0.86
9	A₁	102	97	1.91
10	A₂	2272	2164	0.00
11	A₂	970	924	0.00
12	A₂	728	693	0.00
13	A₂	433	413	0.00
14	A₂	83	79	0.00
15	B₁	2278	2169	310.86
16	B₁	2251	2144	42.34
17	B₁	974	928	87.93
18	B₁	614	585	11.82
19	B₁	327	311	27.74
20	B₁	102	97	0.04
21	B₂	2274	2166	91.56
22	B₂	2262	2154	128.03
23	B₂	971	925	35.98
24	B₂	908	865	351.82
25	B₂	748	713	343.16
26	B₂	477	454	7.73
27	B₂	452	431	21.46

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.885
Si2	0.000	1.952	-0.417
Si3	0.000	-1.952	-0.417
H4	1.198	0.000	1.762
H5	-1.198	0.000	1.762
H6	0.000	3.159	0.443
H7	0.000	-3.159	0.443
H8	1.202	1.988	-1.283
H9	-1.202	1.988	-1.283
H10	-1.202	-1.988	-1.283
H11	1.202	-1.988	-1.283

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3469	2.3469	1.4850	1.4850	3.1894	3.1894	3.1777	3.1777	3.1777	3.1777
Si2	2.3469		3.9049	3.1618	3.1618	1.4816	5.1831	1.4819	1.4819	4.2100	4.2100
Si3	2.3469	3.9049		3.1618	3.1618	5.1831	1.4816	4.2100	4.2100	1.4819	1.4819
H4	1.4850	3.1618	3.1618		2.3970	3.6267	3.6267	3.6363	4.3574	4.3574	3.6363
H5	1.4850	3.1618	3.1618	2.3970		3.6267	3.6267	4.3574	3.6363	3.6363	4.3574
H6	3.1894	1.4816	5.1831	3.6267	3.6267		6.3174	2.4071	2.4071	5.5601	5.5601
H7	3.1894	5.1831	1.4816	3.6267	3.6267	6.3174		5.5601	5.5601	2.4071	2.4071
H8	3.1777	1.4819	4.2100	3.6363	4.3574	2.4071	5.5601		2.4046	4.6470	3.9765
H9	3.1777	1.4819	4.2100	4.3574	3.6363	2.4071	5.5601	2.4046		3.9765	4.6470
H10	3.1777	4.2100	1.4819	4.3574	3.6363	5.5601	2.4071	4.6470	3.9765		2.4046
H11	3.1777	4.2100	1.4819	3.6363	4.3574	5.5601	2.4071	3.9765	4.6470	2.4046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.799	S1	S2	H8	110.132
S1	S2	H9	110.132	S1	S3	H7	110.799
S1	S3	H10	110.132	S1	S3	H11	110.132
S2	S1	S3	112.595	S2	S1	H4	109.125
S2	S1	H5	109.125	S3	S1	H4	109.125
S3	S1	H5	109.125	H4	S1	H5	107.623
H6	S2	H8	108.634	H6	S2	H9	108.634
H7	S3	H10	108.634	H7	S3	H11	108.634
H8	S2	H9	108.451	H10	S3	H11	108.451

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: B2PLYP/6-31+G**

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	0.133
2	Si	0.337
3	Si	0.337
4	H	-0.092
5	H	-0.092
6	H	-0.101
7	H	-0.101
8	H	-0.105
9	H	-0.105
10	H	-0.105
11	H	-0.105

<r²>	209.670
(<r²>)^1/2	14.480

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)