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	hartrees
Energy at 0K	-871.483579
Energy at 298.15K	-871.491572
HF Energy	-871.483579
Nuclear repulsion energy	190.966699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2307	2100	0.82	798.11	0.01	0.01
2	A₁	2302	2095	244.16	144.08	0.56	0.72
3	A₁	2278	2074	92.67	107.03	0.31	0.48
4	A₁	1033	941	74.02	2.33	0.60	0.75
5	A₁	1015	924	35.05	16.52	0.60	0.75
6	A₁	980	892	229.96	5.33	0.63	0.77
7	A₁	614	559	9.63	3.05	0.45	0.62
8	A₁	394	359	0.73	38.02	0.10	0.18
9	A₁	106	97	1.79	2.07	0.59	0.74
10	A₂	2296	2090	0.00	23.01	0.75	0.86
11	A₂	1023	931	0.00	15.67	0.75	0.86
12	A₂	763	695	0.00	5.09	0.75	0.86
13	A₂	450	410	0.00	0.01	0.75	0.86
14	A₂	84	77	0.00	0.01	0.75	0.86
15	B₁	2303	2096	365.46	65.71	0.75	0.86
16	B₁	2279	2075	33.90	179.11	0.75	0.86
17	B₁	1026	934	103.12	0.21	0.75	0.86
18	B₁	650	591	11.55	0.54	0.75	0.86
19	B₁	343	312	27.79	0.00	0.75	0.86
20	B₁	103	93	0.06	0.06	0.75	0.86
21	B₂	2301	2095	244.34	44.91	0.75	0.86
22	B₂	2298	2092	1.94	34.85	0.75	0.86
23	B₂	1023	931	40.68	0.00	0.75	0.86
24	B₂	972	885	390.88	0.01	0.75	0.86
25	B₂	797	725	366.45	1.18	0.75	0.86
26	B₂	483	440	25.21	3.55	0.75	0.86
27	B₂	464	423	8.34	8.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.899
Si2	0.000	1.969	-0.423
Si3	0.000	-1.969	-0.423
H4	1.199	0.000	1.773
H5	-1.199	0.000	1.773
H6	0.000	3.175	0.436
H7	0.000	-3.175	0.436
H8	1.202	2.004	-1.288
H9	-1.202	2.004	-1.288
H10	-1.202	-2.004	-1.288
H11	1.202	-2.004	-1.288

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3712	2.3712	1.4844	1.4844	3.2084	3.2084	3.2006	3.2006	3.2006	3.2006
Si2	2.3712		3.9373	3.1841	3.1841	1.4808	5.2147	1.4814	1.4814	4.2398	4.2398
Si3	2.3712	3.9373		3.1841	3.1841	5.2147	1.4808	4.2398	4.2398	1.4814	1.4814
H4	1.4844	3.1841	3.1841		2.3985	3.6479	3.6479	3.6592	4.3768	4.3768	3.6592
H5	1.4844	3.1841	3.1841	2.3985		3.6479	3.6479	4.3768	3.6592	3.6592	4.3768
H6	3.2084	1.4808	5.2147	3.6479	3.6479		6.3497	2.4058	2.4058	5.5891	5.5891
H7	3.2084	5.2147	1.4808	3.6479	3.6479	6.3497		5.5891	5.5891	2.4058	2.4058
H8	3.2006	1.4814	4.2398	3.6592	4.3768	2.4058	5.5891		2.4040	4.6738	4.0081
H9	3.2006	1.4814	4.2398	4.3768	3.6592	2.4058	5.5891	2.4040		4.0081	4.6738
H10	3.2006	4.2398	1.4814	4.3768	3.6592	5.5891	2.4058	4.6738	4.0081		2.4040
H11	3.2006	4.2398	1.4814	3.6592	4.3768	5.5891	2.4058	4.0081	4.6738	2.4040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.666	S1	S2	H8	110.206
S1	S2	H9	110.206	S1	S3	H7	110.666
S1	S3	H10	110.206	S1	S3	H11	110.206
S2	S1	S3	112.242	S2	S1	H4	109.177
S2	S1	H5	109.177	S3	S1	H4	109.177
S3	S1	H5	109.177	H4	S1	H5	107.787
H6	S2	H8	108.619	H6	S2	H9	108.619
H7	S3	H10	108.619	H7	S3	H11	108.619
H8	S2	H9	108.467	H10	S3	H11	108.467

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: HF/aug-cc-pVTZ

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	0.259
2	Si	0.687
3	Si	0.687
4	H	-0.155
5	H	-0.155
6	H	-0.258
7	H	-0.258
8	H	-0.202
9	H	-0.202
10	H	-0.202
11	H	-0.202

<r²>	212.664
(<r²>)^1/2	14.583

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)