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	hartrees
Energy at 0K	-872.757652
Energy at 298.15K	-872.765015
HF Energy	-872.757652
Nuclear repulsion energy	191.610274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2168	2146	122.03
2	A₁	2155	2133	4.48
3	A₁	2138	2116	51.66
4	A₁	911	902	52.90
5	A₁	885	876	0.12
6	A₁	844	836	142.62
7	A₁	540	535	3.10
8	A₁	375	371	0.33
9	A₁	92	91	0.88
10	A₂	2167	2145	0.00
11	A₂	903	894	0.00
12	A₂	680	673	0.00
13	A₂	399	395	0.00
14	A₂	81	81	0.00
15	B₁	2172	2150	187.20
16	B₁	2148	2126	18.14
17	B₁	908	899	51.72
18	B₁	567	561	6.75
19	B₁	299	296	10.71
20	B₁	97	96	0.03
21	B₂	2167	2144	42.25
22	B₂	2151	2129	101.22
23	B₂	905	895	28.35
24	B₂	830	822	257.66
25	B₂	680	673	247.82
26	B₂	449	444	3.27
27	B₂	413	408	11.77

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.903
Si2	0.000	1.943	-0.424
Si3	0.000	-1.943	-0.424
H4	1.211	0.000	1.790
H5	-1.211	0.000	1.790
H6	0.000	3.179	0.425
H7	0.000	-3.179	0.425
H8	1.215	1.971	-1.301
H9	-1.215	1.971	-1.301
H10	-1.215	-1.971	-1.301
H11	1.215	-1.971	-1.301

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3530	2.3530	1.5013	1.5013	3.2144	3.2144	3.1964	3.1964	3.1964	3.1964
Si2	2.3530		3.8864	3.1852	3.1852	1.4988	5.1917	1.4984	1.4984	4.1912	4.1912
Si3	2.3530	3.8864		3.1852	3.1852	5.1917	1.4988	4.1912	4.1912	1.4984	1.4984
H4	1.5013	3.1852	3.1852		2.4217	3.6654	3.6654	3.6663	4.3959	4.3959	3.6663
H5	1.5013	3.1852	3.1852	2.4217		3.6654	3.6654	4.3959	3.6663	3.6663	4.3959
H6	3.2144	1.4988	5.1917	3.6654	3.6654		6.3573	2.4313	2.4313	5.5653	5.5653
H7	3.2144	5.1917	1.4988	3.6654	3.6654	6.3573		5.5653	5.5653	2.4313	2.4313
H8	3.1964	1.4984	4.1912	3.6663	4.3959	2.4313	5.5653		2.4292	4.6305	3.9421
H9	3.1964	1.4984	4.1912	4.3959	3.6663	2.4313	5.5653	2.4292		3.9421	4.6305
H10	3.1964	4.1912	1.4984	4.3959	3.6663	5.5653	2.4313	4.6305	3.9421		2.4292
H11	3.1964	4.1912	1.4984	3.6663	4.3959	5.5653	2.4313	3.9421	4.6305	2.4292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.194	S1	S2	H8	110.206
S1	S2	H9	110.206	S1	S3	H7	111.194
S1	S3	H10	110.206	S1	S3	H11	110.206
S2	S1	S3	111.352	S2	S1	H4	109.472
S2	S1	H5	109.472	S3	S1	H4	109.472
S3	S1	H5	109.472	H4	S1	H5	107.520
H6	S2	H8	108.425	H6	S2	H9	108.425
H7	S3	H10	108.425	H7	S3	H11	108.425
H8	S2	H9	108.308	H10	S3	H11	108.308

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	-0.122
2	Si	-0.145
3	Si	-0.145
4	H	0.054
5	H	0.054
6	H	0.050
7	H	0.050
8	H	0.051
9	H	0.051
10	H	0.051
11	H	0.051

<r²>	208.832
(<r²>)^1/2	14.451

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)