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	hartrees
Energy at 0K	-105.241734
Energy at 298.15K	-105.252816
HF Energy	-105.241734
Nuclear repulsion energy	104.798467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2712	2589	83.28
2	A₁	2680	2559	42.29
3	A₁	2590	2473	56.76
4	A₁	2246	2144	7.07
5	A₁	1593	1521	6.68
6	A₁	1170	1117	7.00
7	A₁	987	943	4.92
8	A₁	863	824	0.97
9	A₁	812	775	0.64
10	A₁	673	643	0.24
11	A₁	597	570	0.36
12	A₁	209	199	8.29
13	A₂	2292	2189	0.00
14	A₂	1499	1431	0.00
15	A₂	1077	1029	0.00
16	A₂	1027	981	0.00
17	A₂	927	885	0.00
18	A₂	709	677	0.00
19	A₂	422	403	0.00
20	B₁	2705	2582	33.73
21	B₁	2257	2155	9.82
22	B₁	1546	1476	37.68
23	B₁	1089	1040	12.59
24	B₁	1004	958	37.19
25	B₁	915	874	13.45
26	B₁	748	714	2.17
27	B₁	595	568	15.16
28	B₂	2682	2561	89.60
29	B₂	2587	2470	73.97
30	B₂	2274	2171	96.11
31	B₂	1346	1286	4.88
32	B₂	1156	1104	29.88
33	B₂	936	893	24.61
34	B₂	887	847	13.52
35	B₂	563	538	7.78
36	B₂	359	343	2.54

Atom	x (Å)	y (Å)	z (Å)
B1	-0.857	0.000	-0.462
B2	0.857	0.000	-0.462
B3	0.000	1.391	0.385
B4	0.000	-1.391	0.385
H5	-1.372	0.000	-1.532
H6	1.372	0.000	-1.532
H7	-1.323	0.914	0.273
H8	-1.323	-0.914	0.273
H9	1.323	-0.914	0.273
H10	1.323	0.914	0.273
H11	0.000	1.422	1.584
H12	0.000	2.425	-0.211
H13	0.000	-1.422	1.584
H14	0.000	-2.425	-0.211

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7148	1.8405	1.8405	1.1871	2.4728	1.2615	1.2615	2.4753	2.4753	2.6354	2.5844	2.6354	2.5844
B2	1.7148		1.8405	1.8405	2.4728	1.1871	2.4753	2.4753	1.2615	1.2615	2.6354	2.5844	2.6354	2.5844
B3	1.8405	1.8405		2.7818	2.7371	2.7371	1.4104	2.6596	2.6596	1.4104	1.1999	1.1938	3.0578	3.8623
B4	1.8405	1.8405	2.7818		2.7371	2.7371	2.6596	1.4104	1.4104	2.6596	3.0578	3.8623	1.1999	1.1938
H5	1.1871	2.4728	2.7371	2.7371		2.7441	2.0234	2.0234	3.3693	3.3693	3.6900	3.0834	3.6900	3.0834
H6	2.4728	1.1871	2.7371	2.7371	2.7441		3.3693	3.3693	2.0234	2.0234	3.6900	3.0834	3.6900	3.0834
H7	1.2615	2.4753	1.4104	2.6596	2.0234	3.3693		1.8276	3.2151	2.6451	1.9307	2.0658	2.9875	3.6238
H8	1.2615	2.4753	2.6596	1.4104	2.0234	3.3693	1.8276		2.6451	3.2151	2.9875	3.6238	1.9307	2.0658
H9	2.4753	1.2615	2.6596	1.4104	3.3693	2.0234	3.2151	2.6451		1.8276	2.9875	3.6238	1.9307	2.0658
H10	2.4753	1.2615	1.4104	2.6596	3.3693	2.0234	2.6451	3.2151	1.8276		1.9307	2.0658	2.9875	3.6238
H11	2.6354	2.6354	1.1999	3.0578	3.6900	3.6900	1.9307	2.9875	2.9875	1.9307		2.0570	2.8437	4.2454
H12	2.5844	2.5844	1.1938	3.8623	3.0834	3.0834	2.0658	3.6238	3.6238	2.0658	2.0570		4.2454	4.8502
H13	2.6354	2.6354	3.0578	1.1999	3.6900	3.6900	2.9875	1.9307	1.9307	2.9875	2.8437	4.2454		2.0570
H14	2.5844	2.5844	3.8623	1.1938	3.0834	3.0834	3.6238	2.0658	2.0658	3.6238	4.2454	4.8502	2.0570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.234	B1	B2	B4	62.234
B1	B2	H6	115.692	B1	B2	H9	111.635
B1	B2	H10	111.635	B1	B3	B2	55.532
B1	B3	H7	43.190	B1	B3	H10	98.312
B1	B3	H11	118.659	B1	B3	H12	115.139
B1	B4	B2	55.532	B1	B4	H8	43.190
B1	B4	H9	98.312	B1	B4	H13	118.659
B1	B4	H14	115.139	B1	H7	B3	86.885
B1	H8	B4	86.885	B2	B1	B3	62.234
B2	B1	B4	62.234	B2	B1	H5	115.692
B2	B1	H7	111.635	B2	B1	H8	111.635
B2	B3	H7	98.312	B2	B3	H10	43.190
B2	B3	H11	118.659	B2	B3	H12	115.139
B2	B4	H8	98.312	B2	B4	H9	43.190
B2	B4	H13	118.659	B2	B4	H14	115.139
B2	H9	B4	86.885	B2	H10	B3	86.885
B3	B1	B4	98.178	B3	B1	H5	128.078
B3	B1	H7	49.925	B3	B1	H8	116.811
B3	B2	B4	98.178	B3	B2	H6	128.078
B3	B2	H9	116.811	B3	B2	H10	49.925
B4	B1	H5	128.078	B4	B1	H7	116.811
B4	B1	H8	49.925	B4	B2	H6	128.078
B4	B2	H9	49.925	B4	B2	H10	116.811
H5	B1	H7	111.414	H5	B1	H8	111.414
H6	B2	H9	111.414	H6	B2	H10	111.414
H7	B1	H8	92.833	H7	B3	H10	139.332
H7	B3	H11	95.064	H7	B3	H12	104.673
H8	B4	H9	139.332	H8	B4	H13	95.064
H8	B4	H14	104.673	H9	B2	H10	92.833
H9	B4	H13	95.064	H9	B4	H14	104.673
H10	B3	H11	95.064	H10	B3	H12	104.673
H11	B3	H12	118.488	H13	B4	H14	118.488

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.112
2	B	-0.112
3	B	-0.243
4	B	-0.243
5	H	0.061
6	H	0.061
7	H	0.106
8	H	0.106
9	H	0.106
10	H	0.106
11	H	0.042
12	H	0.040
13	H	0.042
14	H	0.040

<r²>	90.376
(<r²>)^1/2	9.507

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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