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	hartrees
Energy at 0K	-15.879867
Energy at 298.15K	-15.887782
HF Energy	-15.879867
Nuclear repulsion energy	34.182987

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	2070	0.37	573.01	0.00	0.00
2	A₁	2304	2069	302.34	175.24	0.74	0.85
3	A₁	2283	2050	113.24	76.01	0.67	0.81
4	A₁	1030	925	66.88	5.00	0.57	0.72
5	A₁	1012	909	46.90	49.71	0.66	0.80
6	A₁	974	875	246.45	13.46	0.65	0.79
7	A₁	618	555	8.17	14.13	0.70	0.82
8	A₁	402	361	0.67	36.82	0.13	0.23
9	A₁	105	94	1.43	2.44	0.67	0.80
10	A₂	2299	2065	0.00	14.45	0.75	0.86
11	A₂	1016	913	0.00	46.34	0.75	0.86
12	A₂	766	688	0.00	25.30	0.75	0.86
13	A₂	455	409	0.00	0.91	0.75	0.86
14	A₂	75	67	0.00	0.03	0.75	0.86
15	B₁	2307	2072	468.48	72.38	0.75	0.86
16	B₁	2288	2054	17.87	259.90	0.75	0.86
17	B₁	1020	916	113.23	3.03	0.75	0.86
18	B₁	654	587	10.70	3.32	0.75	0.86
19	B₁	343	308	20.37	0.05	0.75	0.86
20	B₁	97	87	0.04	0.14	0.75	0.86
21	B₂	2300	2065	98.92	86.73	0.75	0.86
22	B₂	2296	2061	193.20	9.60	0.75	0.86
23	B₂	1018	914	43.91	0.33	0.75	0.86
24	B₂	968	870	381.56	1.86	0.75	0.86
25	B₂	796	715	382.91	0.70	0.75	0.86
26	B₂	487	438	19.93	2.92	0.75	0.86
27	B₂	470	422	7.69	14.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.917
Si2	0.000	1.957	-0.430
Si3	0.000	-1.957	-0.430
H4	1.205	0.000	1.799
H5	-1.205	0.000	1.799
H6	0.000	3.186	0.414
H7	0.000	-3.186	0.414
H8	1.209	1.980	-1.304
H9	-1.209	1.980	-1.304
H10	-1.209	-1.980	-1.304
H11	1.209	-1.980	-1.304

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3757	2.3757	1.4930	1.4930	3.2252	3.2252	3.2114	3.2114	3.2114	3.2114
Si2	2.3757		3.9131	3.2016	3.2016	1.4909	5.2110	1.4912	1.4912	4.2095	4.2095
Si3	2.3757	3.9131		3.2016	3.2016	5.2110	1.4909	4.2095	4.2095	1.4912	1.4912
H4	1.4930	3.2016	3.2016		2.4094	3.6769	3.6769	3.6807	4.4013	4.4013	3.6807
H5	1.4930	3.2016	3.2016	2.4094		3.6769	3.6769	4.4013	3.6807	3.6807	4.4013
H6	3.2252	1.4909	5.2110	3.6769	3.6769		6.3713	2.4213	2.4213	5.5761	5.5761
H7	3.2252	5.2110	1.4909	3.6769	3.6769	6.3713		5.5761	5.5761	2.4213	2.4213
H8	3.2114	1.4912	4.2095	3.6807	4.4013	2.4213	5.5761		2.4172	4.6394	3.9600
H9	3.2114	1.4912	4.2095	4.4013	3.6807	2.4213	5.5761	2.4172		3.9600	4.6394
H10	3.2114	4.2095	1.4912	4.4013	3.6807	5.5761	2.4213	4.6394	3.9600		2.4172
H11	3.2114	4.2095	1.4912	3.6807	4.4013	5.5761	2.4213	3.9600	4.6394	2.4172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.968	S1	S2	H8	110.187
S1	S2	H9	110.187	S1	S3	H7	110.968
S1	S3	H10	110.187	S1	S3	H11	110.187
S2	S1	S3	110.885	S2	S1	H4	109.578
S2	S1	H5	109.578	S3	S1	H4	109.578
S3	S1	H5	109.578	H4	S1	H5	107.580
H6	S2	H8	108.572	H6	S2	H9	108.572
H7	S3	H10	108.572	H7	S3	H11	108.572
H8	S2	H9	108.286	H10	S3	H11	108.286

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: HF/CEP-31G*

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	0.058
2	Si	0.098
3	Si	0.098
4	H	-0.030
5	H	-0.030
6	H	-0.029
7	H	-0.029
8	H	-0.034
9	H	-0.034
10	H	-0.034
11	H	-0.034

<r²>	120.510
(<r²>)^1/2	10.978

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)