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	hartrees
Energy at 0K	-872.903204
Energy at 298.15K	-872.910733
HF Energy	-872.903204
Nuclear repulsion energy	192.407504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2223	2130	144.25
2	A₁	2215	2123	11.36
3	A₁	2194	2103	64.73
4	A₁	946	907	70.86
5	A₁	921	883	2.09
6	A₁	883	847	193.64
7	A₁	566	542	6.91
8	A₁	388	372	0.75
9	A₁	94	90	1.52
10	A₂	2220	2128	0.00
11	A₂	937	898	0.00
12	A₂	709	680	0.00
13	A₂	418	401	0.00
14	A₂	68	65	0.00
15	B₁	2225	2133	236.58
16	B₁	2202	2110	22.57
17	B₁	942	903	74.74
18	B₁	594	570	11.47
19	B₁	312	299	21.38
20	B₁	89	85	0.08
21	B₂	2221	2129	69.15
22	B₂	2211	2119	101.03
23	B₂	939	900	34.82
24	B₂	872	836	314.29
25	B₂	715	686	296.21
26	B₂	465	446	5.94
27	B₂	435	417	20.25

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.897
Si2	0.000	1.938	-0.421
Si3	0.000	-1.938	-0.421
H4	1.205	0.000	1.779
H5	-1.205	0.000	1.779
H6	0.000	3.163	0.426
H7	0.000	-3.163	0.426
H8	1.208	1.964	-1.294
H9	-1.208	1.964	-1.294
H10	-1.208	-1.964	-1.294
H11	1.208	-1.964	-1.294

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3439	2.3439	1.4934	1.4934	3.1982	3.1982	3.1810	3.1810	3.1810	3.1810
Si2	2.3439		3.8753	3.1701	3.1701	1.4904	5.1710	1.4906	1.4906	4.1767	4.1767
Si3	2.3439	3.8753		3.1701	3.1701	5.1710	1.4904	4.1767	4.1767	1.4906	1.4906
H4	1.4934	3.1701	3.1701		2.4107	3.6454	3.6454	3.6468	4.3733	4.3733	3.6468
H5	1.4934	3.1701	3.1701	2.4107		3.6454	3.6454	4.3733	3.6468	3.6468	4.3733
H6	3.1982	1.4904	5.1710	3.6454	3.6454		6.3267	2.4202	2.4202	5.5417	5.5417
H7	3.1982	5.1710	1.4904	3.6454	3.6454	6.3267		5.5417	5.5417	2.4202	2.4202
H8	3.1810	1.4906	4.1767	3.6468	4.3733	2.4202	5.5417		2.4170	4.6122	3.9282
H9	3.1810	1.4906	4.1767	4.3733	3.6468	2.4202	5.5417	2.4170		3.9282	4.6122
H10	3.1810	4.1767	1.4906	4.3733	3.6468	5.5417	2.4202	4.6122	3.9282		2.4170
H11	3.1810	4.1767	1.4906	3.6468	4.3733	5.5417	2.4202	3.9282	4.6122	2.4170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.085	S1	S2	H8	110.114
S1	S2	H9	110.114	S1	S3	H7	111.085
S1	S3	H10	110.114	S1	S3	H11	110.114
S2	S1	S3	111.519	S2	S1	H4	109.401
S2	S1	H5	109.401	S3	S1	H4	109.401
S3	S1	H5	109.401	H4	S1	H5	107.635
H6	S2	H8	108.560	H6	S2	H9	108.560
H7	S3	H10	108.560	H7	S3	H11	108.560
H8	S2	H9	108.338	H10	S3	H11	108.338

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: PBE1PBE/6-311G*

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	0.011
2	Si	0.142
3	Si	0.142
4	H	-0.024
5	H	-0.024
6	H	-0.037
7	H	-0.037
8	H	-0.043
9	H	-0.043
10	H	-0.043
11	H	-0.043

<r²>	208.023
(<r²>)^1/2	14.423

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)