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	hartrees
Energy at 0K	-105.216425
Energy at 298.15K	-105.227333
HF Energy	-105.216425
Nuclear repulsion energy	104.641835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2640	2621	60.83
2	A₁	2606	2588	32.24
3	A₁	2519	2502	46.53
4	A₁	2156	2141	3.14
5	A₁	1538	1528	3.23
6	A₁	1128	1121	4.98
7	A₁	944	938	6.33
8	A₁	832	827	2.77
9	A₁	785	780	0.34
10	A₁	648	644	1.10
11	A₁	585	580	0.63
12	A₁	197	196	9.08
13	A₂	2199	2184	0.00
14	A₂	1438	1428	0.00
15	A₂	1030	1022	0.00
16	A₂	988	981	0.00
17	A₂	892	885	0.00
18	A₂	692	688	0.00
19	A₂	406	403	0.00
20	B₁	2633	2615	27.14
21	B₁	2175	2160	9.28
22	B₁	1482	1471	19.01
23	B₁	1041	1033	14.44
24	B₁	957	951	28.61
25	B₁	884	878	13.20
26	B₁	714	709	2.98
27	B₁	576	572	10.00
28	B₂	2609	2591	75.76
29	B₂	2516	2499	60.27
30	B₂	2177	2162	65.89
31	B₂	1302	1293	8.79
32	B₂	1115	1108	19.98
33	B₂	898	892	24.10
34	B₂	854	848	5.08
35	B₂	561	557	7.04
36	B₂	343	340	1.69

Atom	x (Å)	y (Å)	z (Å)
B1	-0.857	0.000	-0.462
B2	0.857	0.000	-0.462
B3	0.000	1.393	0.382
B4	0.000	-1.393	0.382
H5	-1.376	0.000	-1.533
H6	1.376	0.000	-1.533
H7	-1.327	0.917	0.281
H8	-1.327	-0.917	0.281
H9	1.327	-0.917	0.281
H10	1.327	0.917	0.281
H11	0.000	1.428	1.585
H12	0.000	2.430	-0.215
H13	0.000	-1.428	1.585
H14	0.000	-2.430	-0.215

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7132	1.8398	1.8398	1.1903	2.4761	1.2700	1.2700	2.4817	2.4817	2.6386	2.5879	2.6386	2.5879
B2	1.7132		1.8398	1.8398	2.4761	1.1903	2.4817	2.4817	1.2700	1.2700	2.6386	2.5879	2.6386	2.5879
B3	1.8398	1.8398		2.7852	2.7383	2.7383	1.4130	2.6654	2.6654	1.4130	1.2036	1.1967	3.0665	3.8685
B4	1.8398	1.8398	2.7852		2.7383	2.7383	2.6654	1.4130	1.4130	2.6654	3.0665	3.8685	1.2036	1.1967
H5	1.1903	2.4761	2.7383	2.7383		2.7516	2.0327	2.0327	3.3813	3.3813	3.6949	3.0872	3.6949	3.0872
H6	2.4761	1.1903	2.7383	2.7383	2.7516		3.3813	3.3813	2.0327	2.0327	3.6949	3.0872	3.6949	3.0872
H7	1.2700	2.4817	1.4130	2.6654	2.0327	3.3813		1.8339	3.2255	2.6535	1.9294	2.0723	2.9934	3.6339
H8	1.2700	2.4817	2.6654	1.4130	2.0327	3.3813	1.8339		2.6535	3.2255	2.9934	3.6339	1.9294	2.0723
H9	2.4817	1.2700	2.6654	1.4130	3.3813	2.0327	3.2255	2.6535		1.8339	2.9934	3.6339	1.9294	2.0723
H10	2.4817	1.2700	1.4130	2.6654	3.3813	2.0327	2.6535	3.2255	1.8339		1.9294	2.0723	2.9934	3.6339
H11	2.6386	2.6386	1.2036	3.0665	3.6949	3.6949	1.9294	2.9934	2.9934	1.9294		2.0602	2.8562	4.2571
H12	2.5879	2.5879	1.1967	3.8685	3.0872	3.0872	2.0723	3.6339	3.6339	2.0723	2.0602		4.2571	4.8591
H13	2.6386	2.6386	3.0665	1.2036	3.6949	3.6949	2.9934	1.9294	1.9294	2.9934	2.8562	4.2571		2.0602
H14	2.5879	2.5879	3.8685	1.1967	3.0872	3.0872	3.6339	2.0723	2.0723	3.6339	4.2571	4.8591	2.0602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.251	B1	B2	B4	62.251
B1	B2	H6	115.863	B1	B2	H9	111.727
B1	B2	H10	111.727	B1	B3	B2	55.499
B1	B3	H7	43.548	B1	B3	H10	98.599
B1	B3	H11	118.728	B1	B3	H12	115.277
B1	B4	B2	55.499	B1	B4	H8	43.548
B1	B4	H9	98.599	B1	B4	H13	118.728
B1	B4	H14	115.277	B1	H7	B3	86.408
B1	H8	B4	86.408	B2	B1	B3	62.251
B2	B1	B4	62.251	B2	B1	H5	115.863
B2	B1	H7	111.727	B2	B1	H8	111.727
B2	B3	H7	98.599	B2	B3	H10	43.548
B2	B3	H11	118.728	B2	B3	H12	115.277
B2	B4	H8	98.599	B2	B4	H9	43.548
B2	B4	H13	118.728	B2	B4	H14	115.277
B2	H9	B4	86.408	B2	H10	B3	86.408
B3	B1	B4	98.390	B3	B1	H5	128.004
B3	B1	H7	50.045	B3	B1	H8	116.798
B3	B2	B4	98.390	B3	B2	H6	128.004
B3	B2	H9	116.798	B3	B2	H10	50.045
B4	B1	H5	128.004	B4	B1	H7	116.798
B4	B1	H8	50.045	B4	B2	H6	128.004
B4	B2	H9	50.045	B4	B2	H10	116.798
H5	B1	H7	111.377	H5	B1	H8	111.377
H6	B2	H9	111.377	H6	B2	H10	111.377
H7	B1	H8	92.441	H7	B3	H10	139.741
H7	B3	H11	94.677	H7	B3	H12	104.827
H8	B4	H9	139.741	H8	B4	H13	94.677
H8	B4	H14	104.827	H9	B2	H10	92.441
H9	B4	H13	94.677	H9	B4	H14	104.827
H10	B3	H11	94.677	H10	B3	H12	104.827
H11	B3	H12	118.256	H13	B4	H14	118.256

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

using model chemistry: PBEPBE/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	-0.162
2	B	-0.162
3	B	-0.267
4	B	-0.267
5	H	0.043
6	H	0.043
7	H	0.135
8	H	0.135
9	H	0.135
10	H	0.135
11	H	0.073
12	H	0.043
13	H	0.073
14	H	0.043

<r²>	90.656
(<r²>)^1/2	9.521

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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