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	hartrees
Energy at 0K	-871.496378
Energy at 298.15K	-871.504384
HF Energy	-871.496378
Nuclear repulsion energy	191.205595

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	2313	2101	1.31	746.29	0.00	0.00
2	A₁	2304	2093	248.34	125.35	0.74	0.85
3	A₁	2283	2074	85.98	106.22	0.35	0.52
4	A₁	1037	942	74.77	2.76	0.64	0.78
5	A₁	1018	925	38.83	19.31	0.62	0.77
6	A₁	983	893	230.15	6.38	0.65	0.79
7	A₁	617	561	9.72	3.90	0.51	0.68
8	A₁	394	358	0.73	36.46	0.10	0.18
9	A₁	107	97	1.78	1.96	0.59	0.74
10	A₂	2299	2088	0.00	22.76	0.75	0.86
11	A₂	1026	932	0.00	19.23	0.75	0.86
12	A₂	766	696	0.00	6.70	0.75	0.86
13	A₂	453	412	0.00	0.00	0.75	0.86
14	A₂	85	78	0.00	0.01	0.75	0.86
15	B₁	2306	2094	361.16	67.83	0.75	0.86
16	B₁	2282	2073	33.60	181.75	0.75	0.86
17	B₁	1029	935	105.32	0.35	0.75	0.86
18	B₁	653	593	11.53	0.88	0.75	0.86
19	B₁	345	314	28.03	0.00	0.75	0.86
20	B₁	104	94	0.06	0.06	0.75	0.86
21	B₂	2306	2095	220.71	16.00	0.75	0.86
22	B₂	2301	2091	23.78	65.52	0.75	0.86
23	B₂	1026	932	41.29	0.00	0.75	0.86
24	B₂	976	887	397.68	0.00	0.75	0.86
25	B₂	802	728	368.51	0.91	0.75	0.86
26	B₂	485	441	26.43	2.73	0.75	0.86
27	B₂	465	423	6.60	9.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.896
Si2	0.000	1.968	-0.422
Si3	0.000	-1.968	-0.422
H4	1.197	0.000	1.769
H5	-1.197	0.000	1.769
H6	0.000	3.170	0.438
H7	0.000	-3.170	0.438
H8	1.200	2.004	-1.285
H9	-1.200	2.004	-1.285
H10	-1.200	-2.004	-1.285
H11	1.200	-2.004	-1.285

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3685	2.3685	1.4815	1.4815	3.2025	3.2025	3.1961	3.1961	3.1961	3.1961
Si2	2.3685		3.9354	3.1788	3.1788	1.4781	5.2089	1.4786	1.4786	4.2381	4.2381
Si3	2.3685	3.9354		3.1788	3.1788	5.2089	1.4781	4.2381	4.2381	1.4786	1.4786
H4	1.4815	3.1788	3.1788		2.3945	3.6400	3.6400	3.6528	4.3692	4.3692	3.6528
H5	1.4815	3.1788	3.1788	2.3945		3.6400	3.6400	4.3692	3.6528	3.6528	4.3692
H6	3.2025	1.4781	5.2089	3.6400	3.6400		6.3392	2.4018	2.4018	5.5838	5.5838
H7	3.2025	5.2089	1.4781	3.6400	3.6400	6.3392		5.5838	5.5838	2.4018	2.4018
H8	3.1961	1.4786	4.2381	3.6528	4.3692	2.4018	5.5838		2.4001	4.6720	4.0084
H9	3.1961	1.4786	4.2381	4.3692	3.6528	2.4018	5.5838	2.4001		4.0084	4.6720
H10	3.1961	4.2381	1.4786	4.3692	3.6528	5.5838	2.4018	4.6720	4.0084		2.4001
H11	3.1961	4.2381	1.4786	3.6528	4.3692	5.5838	2.4018	4.0084	4.6720	2.4001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.583	S1	S2	H8	110.205
S1	S2	H9	110.205	S1	S3	H7	110.583
S1	S3	H10	110.205	S1	S3	H11	110.205
S2	S1	S3	112.361	S2	S1	H4	109.137
S2	S1	H5	109.137	S3	S1	H4	109.137
S3	S1	H5	109.137	H4	S1	H5	107.828
H6	S2	H8	108.644	H6	S2	H9	108.644
H7	S3	H10	108.644	H7	S3	H11	108.644
H8	S2	H9	108.506	H10	S3	H11	108.506

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: HF/cc-pVQZ

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	0.251
2	Si	0.393
3	Si	0.393
4	H	-0.125
5	H	-0.125
6	H	-0.129
7	H	-0.129
8	H	-0.132
9	H	-0.132
10	H	-0.132
11	H	-0.132

<r²>	212.278
(<r²>)^1/2	14.570

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)