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	hartrees
Energy at 0K	-105.400771
Energy at 298.15K	-105.411760
HF Energy	-105.400771
Nuclear repulsion energy	104.267653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2714	2608	99.48
2	A₁	2695	2589	31.26
3	A₁	2608	2505	49.38
4	A₁	2243	2155	13.58
5	A₁	1574	1513	6.75
6	A₁	1188	1141	8.90
7	A₁	1007	968	4.49
8	A₁	861	827	0.01
9	A₁	805	774	1.07
10	A₁	676	650	0.00
11	A₁	561	539	0.13
12	A₁	213	205	7.83
13	A₂	2273	2184	0.00
14	A₂	1462	1405	0.00
15	A₂	1090	1047	0.00
16	A₂	1040	999	0.00
17	A₂	912	876	0.00
18	A₂	681	655	0.00
19	A₂	422	406	0.00
20	B₁	2706	2600	29.90
21	B₁	2248	2160	7.76
22	B₁	1532	1472	49.13
23	B₁	1107	1063	12.45
24	B₁	1013	973	55.86
25	B₁	919	883	14.12
26	B₁	766	736	1.20
27	B₁	571	548	19.84
28	B₂	2697	2591	74.46
29	B₂	2603	2501	75.78
30	B₂	2262	2174	127.69
31	B₂	1328	1276	7.43
32	B₂	1171	1125	34.93
33	B₂	950	912	20.13
34	B₂	888	853	27.00
35	B₂	478	459	9.17
36	B₂	363	348	1.23

Atom	x (Å)	y (Å)	z (Å)
B1	-0.861	0.000	-0.462
B2	0.861	0.000	-0.462
B3	0.000	1.413	0.389
B4	0.000	-1.413	0.389
H5	-1.378	0.000	-1.528
H6	1.378	0.000	-1.528
H7	-1.318	0.918	0.265
H8	-1.318	-0.918	0.265
H9	1.318	-0.918	0.265
H10	1.318	0.918	0.265
H11	0.000	1.455	1.583
H12	0.000	2.434	-0.221
H13	0.000	-1.455	1.583
H14	0.000	-2.434	-0.221

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7228	1.8613	1.8613	1.1842	2.4799	1.2570	1.2570	2.4743	2.4743	2.6540	2.5930	2.6540	2.5930
B2	1.7228		1.8613	1.8613	2.4799	1.1842	2.4743	2.4743	1.2570	1.2570	2.6540	2.5930	2.6540	2.5930
B3	1.8613	1.8613		2.8263	2.7517	2.7517	1.4136	2.6810	2.6810	1.4136	1.1947	1.1895	3.1066	3.8952
B4	1.8613	1.8613	2.8263		2.7517	2.7517	2.6810	1.4136	1.4136	2.6810	3.1066	3.8952	1.1947	1.1895
H5	1.1842	2.4799	2.7517	2.7517		2.7558	2.0149	2.0149	3.3653	3.3653	3.7007	3.0869	3.7007	3.0869
H6	2.4799	1.1842	2.7517	2.7517	2.7558		3.3653	3.3653	2.0149	2.0149	3.7007	3.0869	3.7007	3.0869
H7	1.2570	2.4743	1.4136	2.6810	2.0149	3.3653		1.8362	3.2128	2.6364	1.9403	2.0667	3.0179	3.6345
H8	1.2570	2.4743	2.6810	1.4136	2.0149	3.3653	1.8362		2.6364	3.2128	3.0179	3.6345	1.9403	2.0667
H9	2.4743	1.2570	2.6810	1.4136	3.3653	2.0149	3.2128	2.6364		1.8362	3.0179	3.6345	1.9403	2.0667
H10	2.4743	1.2570	1.4136	2.6810	3.3653	2.0149	2.6364	3.2128	1.8362		1.9403	2.0667	3.0179	3.6345
H11	2.6540	2.6540	1.1947	3.1066	3.7007	3.7007	1.9403	3.0179	3.0179	1.9403		2.0532	2.9097	4.2871
H12	2.5930	2.5930	1.1895	3.8952	3.0869	3.0869	2.0667	3.6345	3.6345	2.0667	2.0532		4.2871	4.8677
H13	2.6540	2.6540	3.1066	1.1947	3.7007	3.7007	3.0179	1.9403	1.9403	3.0179	2.9097	4.2871		2.0532
H14	2.5930	2.5930	3.8952	1.1895	3.0869	3.0869	3.6345	2.0667	2.0667	3.6345	4.2871	4.8677	2.0532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.432	B1	B2	B4	62.432
B1	B2	H6	115.860	B1	B2	H9	111.308
B1	B2	H10	111.308	B1	B3	B2	55.136
B1	B3	H7	42.454	B1	B3	H10	97.198
B1	B3	H11	118.936	B1	B3	H12	114.611
B1	B4	B2	55.136	B1	B4	H8	42.454
B1	B4	H9	97.198	B1	B4	H13	118.936
B1	B4	H14	114.611	B1	H7	B3	88.164
B1	H8	B4	88.164	B2	B1	B3	62.432
B2	B1	B4	62.432	B2	B1	H5	115.860
B2	B1	H7	111.308	B2	B1	H8	111.308
B2	B3	H7	97.198	B2	B3	H10	42.454
B2	B3	H11	118.936	B2	B3	H12	114.611
B2	B4	H8	97.198	B2	B4	H9	42.454
B2	B4	H13	118.936	B2	B4	H14	114.611
B2	H9	B4	88.164	B2	H10	B3	88.164
B3	B1	B4	98.791	B3	B1	H5	127.853
B3	B1	H7	49.382	B3	B1	H8	117.259
B3	B2	B4	98.791	B3	B2	H6	127.853
B3	B2	H9	117.259	B3	B2	H10	49.382
B4	B1	H5	127.853	B4	B1	H7	117.259
B4	B1	H8	49.382	B4	B2	H6	127.853
B4	B2	H9	49.382	B4	B2	H10	117.259
H5	B1	H7	111.220	H5	B1	H8	111.220
H6	B2	H9	111.220	H6	B2	H10	111.220
H7	B1	H8	93.835	H7	B3	H10	137.658
H7	B3	H11	95.762	H7	B3	H12	104.785
H8	B4	H9	137.658	H8	B4	H13	95.762
H8	B4	H14	104.785	H9	B2	H10	93.835
H9	B4	H13	95.762	H9	B4	H14	104.785
H10	B3	H11	95.762	H10	B3	H12	104.785
H11	B3	H12	118.900	H13	B4	H14	118.900

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

using model chemistry: B3LYP/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	-0.058
2	B	-0.058
3	B	-0.029
4	B	-0.029
5	H	-0.002
6	H	-0.002
7	H	0.070
8	H	0.070
9	H	0.070
10	H	0.070
11	H	-0.030
12	H	-0.021
13	H	-0.030
14	H	-0.021

<r²>	91.043
(<r²>)^1/2	9.542

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

using model chemistry: B3LYP/6-31G**

States and conformations

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