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	hartrees
Energy at 0K	-872.827566
Energy at 298.15K	-872.834896
HF Energy	-872.827566
Nuclear repulsion energy	191.917695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2158	2132	119.95
2	A₁	2145	2119	5.96
3	A₁	2127	2101	50.87
4	A₁	910	899	58.50
5	A₁	884	873	0.02
6	A₁	844	834	150.95
7	A₁	539	533	3.90
8	A₁	374	369	0.44
9	A₁	90	89	1.03
10	A₂	2158	2132	0.00
11	A₂	903	892	0.00
12	A₂	680	671	0.00
13	A₂	397	392	0.00
14	A₂	74	73	0.00
15	B₁	2162	2136	187.53
16	B₁	2138	2112	17.60
17	B₁	908	897	56.39
18	B₁	566	559	7.77
19	B₁	296	293	13.46
20	B₁	92	91	0.05
21	B₂	2157	2131	46.68
22	B₂	2141	2116	96.46
23	B₂	904	893	30.07
24	B₂	830	820	272.14
25	B₂	679	671	256.81
26	B₂	448	442	4.10
27	B₂	411	406	13.67

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.900
Si2	0.000	1.941	-0.423
Si3	0.000	-1.941	-0.423
H4	1.211	0.000	1.784
H5	-1.211	0.000	1.784
H6	0.000	3.172	0.428
H7	0.000	-3.172	0.428
H8	1.214	1.967	-1.297
H9	-1.214	1.967	-1.297
H10	-1.214	-1.967	-1.297
H11	1.214	-1.967	-1.297

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3488	2.3488	1.4996	1.4996	3.2073	3.2073	3.1890	3.1890	3.1890	3.1890
Si2	2.3488		3.8823	3.1789	3.1789	1.4966	5.1839	1.4964	1.4964	4.1847	4.1847
Si3	2.3488	3.8823		3.1789	3.1789	5.1839	1.4966	4.1847	4.1847	1.4964	1.4964
H4	1.4996	3.1789	3.1789		2.4217	3.6565	3.6565	3.6561	4.3870	4.3870	3.6561
H5	1.4996	3.1789	3.1789	2.4217		3.6565	3.6565	4.3870	3.6561	3.6561	4.3870
H6	3.2073	1.4966	5.1839	3.6565	3.6565		6.3449	2.4299	2.4299	5.5555	5.5555
H7	3.2073	5.1839	1.4966	3.6565	3.6565	6.3449		5.5555	5.5555	2.4299	2.4299
H8	3.1890	1.4964	4.1847	3.6561	4.3870	2.4299	5.5555		2.4275	4.6225	3.9338
H9	3.1890	1.4964	4.1847	4.3870	3.6561	2.4299	5.5555	2.4275		3.9338	4.6225
H10	3.1890	4.1847	1.4964	4.3870	3.6561	5.5555	2.4299	4.6225	3.9338		2.4275
H11	3.1890	4.1847	1.4964	3.6561	4.3870	5.5555	2.4299	3.9338	4.6225	2.4275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.094	S1	S2	H8	110.082
S1	S2	H9	110.082	S1	S3	H7	111.094
S1	S3	H10	110.082	S1	S3	H11	110.082
S2	S1	S3	111.472	S2	S1	H4	109.399
S2	S1	H5	109.399	S3	S1	H4	109.399
S3	S1	H5	109.399	H4	S1	H5	107.695
H6	S2	H8	108.554	H6	S2	H9	108.554
H7	S3	H10	108.554	H7	S3	H11	108.554
H8	S2	H9	108.408	H10	S3	H11	108.408

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: PBEPBE/Def2TZVPP

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	0.099
2	Si	0.113
3	Si	0.113
4	H	-0.045
5	H	-0.045
6	H	-0.040
7	H	-0.040
8	H	-0.039
9	H	-0.039
10	H	-0.039
11	H	-0.039

<r²>	208.729
(<r²>)^1/2	14.447

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)