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	hartrees
Energy at 0K	-15.857130
Energy at 298.15K	-15.865166
HF Energy	-15.857130
Nuclear repulsion energy	34.593738

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	2329	2096	197.65	154.76	0.75	0.86
2	A₁	2323	2091	0.00	666.80	0.00	0.01
3	A₁	2306	2075	94.52	58.77	0.73	0.84
4	A₁	1038	934	114.31	46.34	0.74	0.85
5	A₁	1010	909	4.25	66.26	0.73	0.84
6	A₁	966	869	209.56	9.01	0.69	0.82
7	A₁	629	566	14.33	22.87	0.70	0.82
8	A₁	398	358	0.44	49.65	0.15	0.26
9	A₁	118	106	1.80	2.63	0.61	0.76
10	A₂	2328	2095	0.00	18.33	0.75	0.86
11	A₂	1028	925	0.00	93.26	0.75	0.86
12	A₂	789	710	0.00	41.96	0.75	0.86
13	A₂	488	439	0.00	1.88	0.75	0.86
14	A₂	78	70	0.00	0.00	0.75	0.86
15	B₁	2333	2099	301.57	74.74	0.75	0.86
16	B₁	2317	2085	16.13	232.16	0.75	0.86
17	B₁	1032	929	106.03	3.77	0.75	0.86
18	B₁	655	590	14.50	7.65	0.75	0.86
19	B₁	361	325	29.60	0.09	0.75	0.86
20	B₁	94	84	0.02	0.07	0.75	0.86
21	B₂	2328	2095	49.53	90.74	0.75	0.86
22	B₂	2315	2083	166.84	12.44	0.75	0.86
23	B₂	1032	929	43.23	0.00	0.75	0.86
24	B₂	948	853	400.62	4.79	0.75	0.86
25	B₂	799	719	298.93	0.00	0.75	0.86
26	B₂	514	462	27.93	0.16	0.75	0.86
27	B₂	483	434	2.69	26.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.880
Si2	0.000	1.949	-0.415
Si3	0.000	-1.949	-0.415
H4	1.192	0.000	1.751
H5	-1.192	0.000	1.751
H6	0.000	3.144	0.449
H7	0.000	-3.144	0.449
H8	1.197	1.983	-1.276
H9	-1.197	1.983	-1.276
H10	-1.197	-1.983	-1.276
H11	1.197	-1.983	-1.276

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3402	2.3402	1.4758	1.4758	3.1730	3.1730	3.1642	3.1642	3.1642	3.1642
Si2	2.3402		3.8983	3.1479	3.1479	1.4743	5.1655	1.4746	1.4746	4.1994	4.1994
Si3	2.3402	3.8983		3.1479	3.1479	5.1655	1.4743	4.1994	4.1994	1.4746	1.4746
H4	1.4758	3.1479	3.1479		2.3835	3.6050	3.6050	3.6181	4.3354	4.3354	3.6181
H5	1.4758	3.1479	3.1479	2.3835		3.6050	3.6050	4.3354	3.6181	3.6181	4.3354
H6	3.1730	1.4743	5.1655	3.6050	3.6050		6.2871	2.3989	2.3989	5.5398	5.5398
H7	3.1730	5.1655	1.4743	3.6050	3.6050	6.2871		5.5398	5.5398	2.3989	2.3989
H8	3.1642	1.4746	4.1994	3.6181	4.3354	2.3989	5.5398		2.3938	4.6325	3.9661
H9	3.1642	1.4746	4.1994	4.3354	3.6181	2.3989	5.5398	2.3938		3.9661	4.6325
H10	3.1642	4.1994	1.4746	4.3354	3.6181	5.5398	2.3989	4.6325	3.9661		2.3938
H11	3.1642	4.1994	1.4746	3.6181	4.3354	5.5398	2.3989	3.9661	4.6325	2.3938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.508	S1	S2	H8	110.008
S1	S2	H9	110.008	S1	S3	H7	110.508
S1	S3	H10	110.008	S1	S3	H11	110.008
S2	S1	S3	112.795	S2	S1	H4	109.052
S2	S1	H5	109.052	S3	S1	H4	109.052
S3	S1	H5	109.052	H4	S1	H5	107.712
H6	S2	H8	108.877	H6	S2	H9	108.877
H7	S3	H10	108.877	H7	S3	H11	108.877
H8	S2	H9	108.521	H10	S3	H11	108.521

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: HF/LANL2DZ

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	0.238
2	Si	0.471
3	Si	0.471
4	H	-0.138
5	H	-0.138
6	H	-0.146
7	H	-0.146
8	H	-0.153
9	H	-0.153
10	H	-0.153
11	H	-0.153

<r²>	119.750
(<r²>)^1/2	10.943

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)