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	hartrees
Energy at 0K	-105.228417
Energy at 298.15K	-105.239472
HF Energy	-105.228417
Nuclear repulsion energy	104.731536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2727	2593	79.60
2	A₁	2701	2569	35.28
3	A₁	2611	2483	46.66
4	A₁	2263	2152	8.29
5	A₁	1601	1523	7.05
6	A₁	1176	1118	7.40
7	A₁	1003	954	4.79
8	A₁	869	826	0.63
9	A₁	816	776	0.66
10	A₁	682	649	0.12
11	A₁	598	569	0.32
12	A₁	208	197	8.03
13	A₂	2305	2192	0.00
14	A₂	1497	1424	0.00
15	A₂	1094	1041	0.00
16	A₂	1036	985	0.00
17	A₂	928	883	0.00
18	A₂	708	673	0.00
19	A₂	415	395	0.00
20	B₁	2720	2586	27.89
21	B₁	2272	2161	9.14
22	B₁	1552	1476	42.19
23	B₁	1106	1051	9.09
24	B₁	1022	972	43.42
25	B₁	921	876	13.11
26	B₁	754	717	1.72
27	B₁	597	568	16.85
28	B₂	2703	2571	76.42
29	B₂	2607	2479	68.05
30	B₂	2289	2177	98.21
31	B₂	1351	1285	4.93
32	B₂	1162	1105	30.27
33	B₂	942	895	19.10
34	B₂	892	848	18.03
35	B₂	553	526	7.38
36	B₂	355	337	2.66

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.464
B2	0.858	0.000	-0.464
B3	0.000	1.389	0.388
B4	0.000	-1.389	0.388
H5	-1.370	0.000	-1.537
H6	1.370	0.000	-1.537
H7	-1.327	0.916	0.265
H8	-1.327	-0.916	0.265
H9	1.327	-0.916	0.265
H10	1.327	0.916	0.265
H11	0.000	1.413	1.588
H12	0.000	2.426	-0.204
H13	0.000	-1.413	1.588
H14	0.000	-2.426	-0.204

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7162	1.8417	1.8417	1.1884	2.4725	1.2614	1.2614	2.4792	2.4792	2.6348	2.5866	2.6348	2.5866
B2	1.7162		1.8417	1.8417	2.4725	1.1884	2.4792	2.4792	1.2614	1.2614	2.6348	2.5866	2.6348	2.5866
B3	1.8417	1.8417		2.7779	2.7405	2.7405	1.4142	2.6630	2.6630	1.4142	1.2001	1.1945	3.0476	3.8609
B4	1.8417	1.8417	2.7779		2.7405	2.7405	2.6630	1.4142	1.4142	2.6630	3.0476	3.8609	1.2001	1.1945
H5	1.1884	2.4725	2.7405	2.7405		2.7392	2.0217	2.0217	3.3702	3.3702	3.6926	3.0884	3.6926	3.0884
H6	2.4725	1.1884	2.7405	2.7405	2.7392		3.3702	3.3702	2.0217	2.0217	3.6926	3.0884	3.6926	3.0884
H7	1.2614	2.4792	1.4142	2.6630	2.0217	3.3702		1.8328	3.2257	2.6544	1.9387	2.0643	2.9893	3.6270
H8	1.2614	2.4792	2.6630	1.4142	2.0217	3.3702	1.8328		2.6544	3.2257	2.9893	3.6270	1.9387	2.0643
H9	2.4792	1.2614	2.6630	1.4142	3.3702	2.0217	3.2257	2.6544		1.8328	2.9893	3.6270	1.9387	2.0643
H10	2.4792	1.2614	1.4142	2.6630	3.3702	2.0217	2.6544	3.2257	1.8328		1.9387	2.0643	2.9893	3.6270
H11	2.6348	2.6348	1.2001	3.0476	3.6926	3.6926	1.9387	2.9893	2.9893	1.9387		2.0590	2.8251	4.2365
H12	2.5866	2.5866	1.1945	3.8609	3.0884	3.0884	2.0643	3.6270	3.6270	2.0643	2.0590		4.2365	4.8525
H13	2.6348	2.6348	3.0476	1.2001	3.6926	3.6926	2.9893	1.9387	1.9387	2.9893	2.8251	4.2365		2.0590
H14	2.5866	2.5866	3.8609	1.1945	3.0884	3.0884	3.6270	2.0643	2.0643	3.6270	4.2365	4.8525	2.0590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.230	B1	B2	B4	62.230
B1	B2	H6	115.492	B1	B2	H9	111.833
B1	B2	H10	111.833	B1	B3	B2	55.541
B1	B3	H7	43.145	B1	B3	H10	98.332
B1	B3	H11	118.518	B1	B3	H12	115.181
B1	B4	B2	55.541	B1	B4	H8	43.145
B1	B4	H9	98.332	B1	B4	H13	118.518
B1	B4	H14	115.181	B1	H7	B3	86.797
B1	H8	B4	86.797	B2	B1	B3	62.230
B2	B1	B4	62.230	B2	B1	H5	115.492
B2	B1	H7	111.833	B2	B1	H8	111.833
B2	B3	H7	98.332	B2	B3	H10	43.145
B2	B3	H11	118.518	B2	B3	H12	115.181
B2	B4	H8	98.332	B2	B4	H9	43.145
B2	B4	H13	118.518	B2	B4	H14	115.181
B2	H9	B4	86.797	B2	H10	B3	86.797
B3	B1	B4	97.909	B3	B1	H5	128.185
B3	B1	H7	50.058	B3	B1	H8	116.989
B3	B2	B4	97.909	B3	B2	H6	128.185
B3	B2	H9	116.989	B3	B2	H10	50.058
B4	B1	H5	128.185	B4	B1	H7	116.989
B4	B1	H8	50.058	B4	B2	H6	128.185
B4	B2	H9	50.058	B4	B2	H10	116.989
H5	B1	H7	111.194	H5	B1	H8	111.194
H6	B2	H9	111.194	H6	B2	H10	111.194
H7	B1	H8	93.187	H7	B3	H10	139.595
H7	B3	H11	95.378	H7	B3	H12	104.297
H8	B4	H9	139.595	H8	B4	H13	95.378
H8	B4	H14	104.297	H9	B2	H10	93.187
H9	B4	H13	95.378	H9	B4	H14	104.297
H10	B3	H11	95.378	H10	B3	H12	104.297
H11	B3	H12	118.603	H13	B4	H14	118.603

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

using model chemistry: HSEh1PBE/6-31G*

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	B	-0.229
2	B	-0.229
3	B	-0.254
4	B	-0.254
5	H	0.076
6	H	0.076
7	H	0.156
8	H	0.156
9	H	0.156
10	H	0.156
11	H	0.048
12	H	0.047
13	H	0.048
14	H	0.047

<r²>	90.060
(<r²>)^1/2	9.490

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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