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	hartrees
Energy at 0K	-104.762840
Energy at 298.15K	-104.773800
HF Energy	-104.762840
Nuclear repulsion energy	106.084239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2645	2620	37.08
2	A₁	2608	2583	22.64
3	A₁	2510	2486	39.75
4	A₁	2157	2136	0.13
5	A₁	1572	1557	1.25
6	A₁	1110	1099	2.12
7	A₁	946	937	3.66
8	A₁	838	830	9.28
9	A₁	782	774	0.13
10	A₁	646	640	1.86
11	A₁	620	614	3.29
12	A₁	195	194	10.95
13	A₂	2211	2191	0.00
14	A₂	1497	1483	0.00
15	A₂	1017	1008	0.00
16	A₂	965	956	0.00
17	A₂	901	892	0.00
18	A₂	722	715	0.00
19	A₂	410	406	0.00
20	B₁	2640	2616	20.65
21	B₁	2188	2167	15.96
22	B₁	1513	1499	8.32
23	B₁	1019	1009	10.67
24	B₁	948	939	18.99
25	B₁	877	869	15.34
26	B₁	697	691	6.35
27	B₁	601	596	4.64
28	B₂	2611	2586	68.37
29	B₂	2510	2486	43.89
30	B₂	2183	2163	30.12
31	B₂	1343	1330	8.69
32	B₂	1098	1088	9.79
33	B₂	891	882	16.04
34	B₂	834	826	0.08
35	B₂	634	629	5.49
36	B₂	327	323	2.29

Atom	x (Å)	y (Å)	z (Å)
B1	-0.841	0.000	-0.462
B2	0.841	0.000	-0.462
B3	0.000	1.356	0.375
B4	0.000	-1.356	0.375
H5	-1.364	0.000	-1.531
H6	1.364	0.000	-1.531
H7	-1.316	0.907	0.286
H8	-1.316	-0.907	0.286
H9	1.316	-0.907	0.286
H10	1.316	0.907	0.286
H11	0.000	1.363	1.580
H12	0.000	2.413	-0.185
H13	0.000	-1.363	1.580
H14	0.000	-2.413	-0.185

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.6814	1.8013	1.8013	1.1899	2.4498	1.2682	1.2682	2.4566	2.4566	2.5950	2.5700	2.5950	2.5700
B2	1.6814		1.8013	1.8013	2.4498	1.1899	2.4566	2.4566	1.2682	1.2682	2.5950	2.5700	2.5950	2.5700
B3	1.8013	1.8013		2.7111	2.7072	2.7072	1.3934	2.6194	2.6194	1.3934	1.2051	1.1966	2.9736	3.8098
B4	1.8013	1.8013	2.7111		2.7072	2.7072	2.6194	1.3934	1.3934	2.6194	2.9736	3.8098	1.2051	1.1966
H5	1.1899	2.4498	2.7072	2.7072		2.7274	2.0309	2.0309	3.3623	3.3623	3.6598	3.0808	3.6598	3.0808
H6	2.4498	1.1899	2.7072	2.7072	2.7274		3.3623	3.3623	2.0309	2.0309	3.6598	3.0808	3.6598	3.0808
H7	1.2682	2.4566	1.3934	2.6194	2.0309	3.3623		1.8146	3.1975	2.6327	1.9015	2.0546	2.9261	3.6025
H8	1.2682	2.4566	2.6194	1.3934	2.0309	3.3623	1.8146		2.6327	3.1975	2.9261	3.6025	1.9015	2.0546
H9	2.4566	1.2682	2.6194	1.3934	3.3623	2.0309	3.1975	2.6327		1.8146	2.9261	3.6025	1.9015	2.0546
H10	2.4566	1.2682	1.3934	2.6194	3.3623	2.0309	2.6327	3.1975	1.8146		1.9015	2.0546	2.9261	3.6025
H11	2.5950	2.5950	1.2051	2.9736	3.6598	3.6598	1.9015	2.9261	2.9261	1.9015		2.0541	2.7257	4.1681
H12	2.5700	2.5700	1.1966	3.8098	3.0808	3.0808	2.0546	3.6025	3.6025	2.0546	2.0541		4.1681	4.8257
H13	2.5950	2.5950	2.9736	1.2051	3.6598	3.6598	2.9261	1.9015	1.9015	2.9261	2.7257	4.1681		2.0541
H14	2.5700	2.5700	3.8098	1.1966	3.0808	3.0808	3.6025	2.0546	2.0546	3.6025	4.1681	4.8257	2.0541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.179	B1	B2	B4	62.179
B1	B2	H6	116.074	B1	B2	H9	112.027
B1	B2	H10	112.027	B1	B3	B2	55.642
B1	B3	H7	44.539	B1	B3	H10	99.730
B1	B3	H11	117.980	B1	B3	H12	116.570
B1	B4	B2	55.642	B1	B4	H8	44.539
B1	B4	H9	99.730	B1	B4	H13	117.980
B1	B4	H14	116.570	B1	H7	B3	85.047
B1	H8	B4	85.047	B2	B1	B3	62.179
B2	B1	B4	62.179	B2	B1	H5	116.074
B2	B1	H7	112.027	B2	B1	H8	112.027
B2	B3	H7	99.730	B2	B3	H10	44.539
B2	B3	H11	117.980	B2	B3	H12	116.570
B2	B4	H8	99.730	B2	B4	H9	44.539
B2	B4	H13	117.980	B2	B4	H14	116.570
B2	H9	B4	85.047	B2	H10	B3	85.047
B3	B1	B4	97.622	B3	B1	H5	128.496
B3	B1	H7	50.414	B3	B1	H8	116.076
B3	B2	B4	97.622	B3	B2	H6	128.496
B3	B2	H9	116.076	B3	B2	H10	50.414
B4	B1	H5	128.496	B4	B1	H7	116.076
B4	B1	H8	50.414	B4	B2	H6	128.496
B4	B2	H9	50.414	B4	B2	H10	116.076
H5	B1	H7	111.385	H5	B1	H8	111.385
H6	B2	H9	111.385	H6	B2	H10	111.385
H7	B1	H8	91.360	H7	B3	H10	141.703
H7	B3	H11	93.789	H7	B3	H12	104.725
H8	B4	H9	141.703	H8	B4	H13	93.789
H8	B4	H14	104.725	H9	B2	H10	91.360
H9	B4	H13	93.789	H9	B4	H14	104.725
H10	B3	H11	93.789	H10	B3	H12	104.725
H11	B3	H12	117.581	H13	B4	H14	117.581

All results from a given calculation for B₄H₁₀ (Tetraborane(10))

using model chemistry: LSDA/aug-cc-pVTZ

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	B	0.040
2	B	0.040
3	B	-0.098
4	B	-0.098
5	H	-0.092
6	H	-0.092
7	H	0.085
8	H	0.085
9	H	0.085
10	H	0.085
11	H	-0.031
12	H	0.012
13	H	-0.031
14	H	0.012

<r²>	88.408
(<r²>)^1/2	9.403

All results from a given calculation for B4H10 (Tetraborane(10))

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

All results from a given calculation for B₄H₁₀ (Tetraborane(10))