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	hartrees
Energy at 0K	-872.867991
Energy at 298.15K	-872.875600
HF Energy	-872.756131
Nuclear repulsion energy	191.421666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	957	957	73.44
2	?_a	956	956	72.59
3	?_a	95	95	1.44
4	?_a	94	94	0.04
5	?_b	951	951	36.90
6	?_b	951	951	0.02
7	A₁	2226	2226	140.83
8	A₁	2217	2217	19.23
9	A₁	2197	2197	67.32
10	A₁	934	934	0.15
11	A₁	890	890	188.25
12	A₁	567	567	6.30
13	A₁	383	383	0.58
14	A₂	2222	2222	0.00
15	A₂	713	713	0.00
16	A₂	421	421	0.00
17	A₂	68	68	0.00
18	B₁	2228	2228	249.44
19	B₁	2206	2206	19.16
20	B₁	599	599	9.66
21	B₁	318	318	19.91
22	B₂	2224	2224	80.99
23	B₂	2212	2212	96.43
24	B₂	878	878	308.09
25	B₂	719	719	303.51
26	B₂	461	461	8.76
27	B₂	435	435	16.26

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.907
Si2	0.000	1.949	-0.426
Si3	0.000	-1.949	-0.426
H4	1.209	0.000	1.786
H5	-1.209	0.000	1.786
H6	0.000	3.176	0.422
H7	0.000	-3.176	0.422
H8	1.212	1.967	-1.297
H9	-1.212	1.967	-1.297
H10	-1.212	-1.967	-1.297
H11	1.212	-1.967	-1.297

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3611	2.3611	1.4947	1.4947	3.2128	3.2128	3.1932	3.1932	3.1932	3.1932
Si2	2.3611		3.8970	3.1863	3.1863	1.4918	5.1941	1.4922	1.4922	4.1903	4.1903
Si3	2.3611	3.8970		3.1863	3.1863	5.1941	1.4918	4.1903	4.1903	1.4922	1.4922
H4	1.4947	3.1863	3.1863		2.4183	3.6619	3.6619	3.6571	4.3857	4.3857	3.6571
H5	1.4947	3.1863	3.1863	2.4183		3.6619	3.6619	4.3857	3.6571	3.6571	4.3857
H6	3.2128	1.4918	5.1941	3.6619	3.6619		6.3519	2.4256	2.4256	5.5564	5.5564
H7	3.2128	5.1941	1.4918	3.6619	3.6619	6.3519		5.5564	5.5564	2.4256	2.4256
H8	3.1932	1.4922	4.1903	3.6571	4.3857	2.4256	5.5564		2.4231	4.6205	3.9342
H9	3.1932	1.4922	4.1903	4.3857	3.6571	2.4256	5.5564	2.4231		3.9342	4.6205
H10	3.1932	4.1903	1.4922	4.3857	3.6571	5.5564	2.4256	4.6205	3.9342		2.4231
H11	3.1932	4.1903	1.4922	3.6571	4.3857	5.5564	2.4256	3.9342	4.6205	2.4231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.975	S1	S2	H8	109.871
S1	S2	H9	109.871	S1	S3	H7	110.975
S1	S3	H10	109.871	S1	S3	H11	109.871
S2	S1	S3	111.228	S2	S1	H4	109.390
S2	S1	H5	109.390	S3	S1	H4	109.390
S3	S1	H5	109.390	H4	S1	H5	107.990
H6	S2	H8	108.754	H6	S2	H9	108.754
H7	S3	H10	108.754	H7	S3	H11	108.754
H8	S2	H9	108.567	H10	S3	H11	108.567

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: B2PLYP/daug-cc-pVDZ

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	-1.615
2	Si	-1.317
3	Si	-1.317
4	H	0.713
5	H	0.713
6	H	0.430
7	H	0.430
8	H	0.491
9	H	0.491
10	H	0.491
11	H	0.491

<r²>	210.382
(<r²>)^1/2	14.505

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)