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	hartrees
Energy at 0K	-871.490935
Energy at 298.15K	-871.499385
HF Energy	-871.490935
Nuclear repulsion energy	191.244441

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	2305	2305	0.50	808.53	0.00	0.00
2	A₁	2297	2297	248.47	125.44	0.71	0.83
3	A₁	2275	2275	88.47	108.56	0.31	0.48
4	A₁	1035	1035	72.71	2.23	0.57	0.73
5	A₁	1017	1017	39.34	16.03	0.59	0.74
6	A₁	982	982	228.43	5.43	0.64	0.78
7	A₁	615	615	9.70	2.98	0.45	0.62
8	A₁	394	394	0.74	37.36	0.10	0.18
9	A₁	106	106	1.79	2.03	0.59	0.74
10	A₂	2292	2292	0.00	22.73	0.75	0.86
11	A₂	1025	1025	0.00	15.19	0.75	0.86
12	A₂	764	764	0.00	4.94	0.75	0.86
13	A₂	451	451	0.00	0.01	0.75	0.86
14	A₂	85	85	0.00	0.01	0.75	0.86
15	B₁	2298	2298	364.44	65.12	0.75	0.86
16	B₁	2274	2274	34.01	176.07	0.75	0.86
17	B₁	1028	1028	103.89	0.21	0.75	0.86
18	B₁	651	651	11.55	0.53	0.75	0.86
19	B₁	343	343	27.97	0.00	0.75	0.86
20	B₁	104	104	0.06	0.06	0.75	0.86
21	B₂	2299	2299	232.52	19.10	0.75	0.86
22	B₂	2294	2294	13.66	59.49	0.75	0.86
23	B₂	1025	1025	40.63	0.00	0.75	0.86
24	B₂	975	975	393.68	0.01	0.75	0.86
25	B₂	800	800	364.96	1.17	0.75	0.86
26	B₂	484	484	25.63	3.30	0.75	0.86
27	B₂	465	465	7.85	8.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.897
Si2	0.000	1.966	-0.422
Si3	0.000	-1.966	-0.422
H4	1.197	0.000	1.770
H5	-1.197	0.000	1.770
H6	0.000	3.170	0.435
H7	0.000	-3.170	0.435
H8	1.200	2.002	-1.286
H9	-1.200	2.002	-1.286
H10	-1.200	-2.002	-1.286
H11	1.200	-2.002	-1.286

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3681	2.3681	1.4815	1.4815	3.2034	3.2034	3.1957	3.1957	3.1957	3.1957
Si2	2.3681		3.9327	3.1791	3.1791	1.4780	5.2074	1.4785	1.4785	4.2346	4.2346
Si3	2.3681	3.9327		3.1791	3.1791	5.2074	1.4780	4.2346	4.2346	1.4785	1.4785
H4	1.4815	3.1791	3.1791		2.3941	3.6418	3.6418	3.6532	4.3693	4.3693	3.6532
H5	1.4815	3.1791	3.1791	2.3941		3.6418	3.6418	4.3693	3.6532	3.6532	4.3693
H6	3.2034	1.4780	5.2074	3.6418	3.6418		6.3399	2.4012	2.4012	5.5812	5.5812
H7	3.2034	5.2074	1.4780	3.6418	3.6418	6.3399		5.5812	5.5812	2.4012	2.4012
H8	3.1957	1.4785	4.2346	3.6532	4.3693	2.4012	5.5812		2.3994	4.6677	4.0038
H9	3.1957	1.4785	4.2346	4.3693	3.6532	2.4012	5.5812	2.3994		4.0038	4.6677
H10	3.1957	4.2346	1.4785	4.3693	3.6532	5.5812	2.4012	4.6677	4.0038		2.3994
H11	3.1957	4.2346	1.4785	3.6532	4.3693	5.5812	2.4012	4.0038	4.6677	2.3994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.657	S1	S2	H8	110.204
S1	S2	H9	110.204	S1	S3	H7	110.657
S1	S3	H10	110.204	S1	S3	H11	110.204
S2	S1	S3	112.267	S2	S1	H4	109.167
S2	S1	H5	109.167	S3	S1	H4	109.167
S3	S1	H5	109.167	H4	S1	H5	107.802
H6	S2	H8	108.622	H6	S2	H9	108.622
H7	S3	H10	108.622	H7	S3	H11	108.622
H8	S2	H9	108.475	H10	S3	H11	108.475

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: HF/aug-cc-pV(T+d)Z

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	0.350
2	Si	0.823
3	Si	0.823
4	H	-0.198
5	H	-0.198
6	H	-0.302
7	H	-0.302
8	H	-0.249
9	H	-0.249
10	H	-0.249
11	H	-0.249

<r²>	212.129
(<r²>)^1/2	14.565

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: HF/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)