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	hartrees
Energy at 0K	-873.375755
Energy at 298.15K	-873.383392
HF Energy	-873.375755
Nuclear repulsion energy	192.035974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2215	2215	153.40
2	A₁	2207	2207	6.18
3	A₁	2183	2183	64.89
4	A₁	957	957	70.23
5	A₁	933	933	2.26
6	A₁	896	896	180.09
7	A₁	567	567	6.24
8	A₁	376	376	0.55
9	A₁	97	97	1.33
10	A₂	2213	2213	0.00
11	A₂	950	950	0.00
12	A₂	712	712	0.00
13	A₂	422	422	0.00
14	A₂	86	86	0.00
15	B₁	2218	2218	232.88
16	B₁	2191	2191	28.65
17	B₁	954	954	72.29
18	B₁	597	597	9.57
19	B₁	319	319	18.81
20	B₁	103	103	0.05
21	B₂	2213	2213	60.63
22	B₂	2203	2203	113.17
23	B₂	950	950	33.98
24	B₂	884	884	319.87
25	B₂	726	726	305.51
26	B₂	457	457	10.01
27	B₂	435	435	12.32

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.889
Si2	0.000	1.954	-0.419
Si3	0.000	-1.954	-0.419
H4	1.199	0.000	1.768
H5	-1.199	0.000	1.768
H6	0.000	3.163	0.440
H7	0.000	-3.163	0.440
H8	1.203	1.990	-1.285
H9	-1.203	1.990	-1.285
H10	-1.203	-1.990	-1.285
H11	1.203	-1.990	-1.285

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3512	2.3512	1.4865	1.4865	3.1953	3.1953	3.1841	3.1841	3.1841	3.1841
Si2	2.3512		3.9076	3.1679	3.1679	1.4833	5.1888	1.4833	1.4833	4.2137	4.2137
Si3	2.3512	3.9076		3.1679	3.1679	5.1888	1.4833	4.2137	4.2137	1.4833	1.4833
H4	1.4865	3.1679	3.1679		2.3988	3.6345	3.6345	3.6444	4.3651	4.3651	3.6444
H5	1.4865	3.1679	3.1679	2.3988		3.6345	3.6345	4.3651	3.6444	3.6444	4.3651
H6	3.1953	1.4833	5.1888	3.6345	3.6345		6.3270	2.4082	2.4082	5.5664	5.5664
H7	3.1953	5.1888	1.4833	3.6345	3.6345	6.3270		5.5664	5.5664	2.4082	2.4082
H8	3.1841	1.4833	4.2137	3.6444	4.3651	2.4082	5.5664		2.4063	4.6514	3.9806
H9	3.1841	1.4833	4.2137	4.3651	3.6444	2.4082	5.5664	2.4063		3.9806	4.6514
H10	3.1841	4.2137	1.4833	4.3651	3.6444	5.5664	2.4082	4.6514	3.9806		2.4063
H11	3.1841	4.2137	1.4833	3.6444	4.3651	5.5664	2.4082	3.9806	4.6514	2.4063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.841	S1	S2	H8	110.213
S1	S2	H9	110.213	S1	S3	H7	110.841
S1	S3	H10	110.213	S1	S3	H11	110.213
S2	S1	S3	112.399	S2	S1	H4	109.187
S2	S1	H5	109.187	S3	S1	H4	109.187
S3	S1	H5	109.187	H4	S1	H5	107.574
H6	S2	H8	108.546	H6	S2	H9	108.546
H7	S3	H10	108.546	H7	S3	H11	108.546
H8	S2	H9	108.417	H10	S3	H11	108.417

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	Si	0.187
2	Si	0.132
3	Si	0.132
4	H	-0.063
5	H	-0.063
6	H	-0.055
7	H	-0.055
8	H	-0.054
9	H	-0.054
10	H	-0.054
11	H	-0.054

<r²>	209.881
(<r²>)^1/2	14.487

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)