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	hartrees
Energy at 0K	-105.234107
Energy at 298.15K	-105.245142
HF Energy	-105.234107
Nuclear repulsion energy	104.414431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2691	2590	76.54
2	A₁	2660	2559	36.51
3	A₁	2568	2471	51.18
4	A₁	2220	2136	6.19
5	A₁	1574	1515	5.70
6	A₁	1159	1116	6.87
7	A₁	970	933	5.08
8	A₁	849	817	1.45
9	A₁	807	777	0.89
10	A₁	661	636	0.44
11	A₁	591	569	0.36
12	A₁	212	204	8.68
13	A₂	2261	2176	0.00
14	A₂	1486	1430	0.00
15	A₂	1048	1009	0.00
16	A₂	1009	971	0.00
17	A₂	903	869	0.00
18	A₂	703	676	0.00
19	A₂	411	395	0.00
20	B₁	2682	2581	30.58
21	B₁	2228	2144	10.32
22	B₁	1531	1473	29.26
23	B₁	1061	1021	19.77
24	B₁	974	937	34.80
25	B₁	902	868	13.92
26	B₁	736	708	2.62
27	B₁	585	563	12.45
28	B₂	2662	2561	79.62
29	B₂	2564	2468	70.96
30	B₂	2244	2160	86.21
31	B₂	1330	1279	4.57
32	B₂	1143	1100	29.28
33	B₂	916	882	26.44
34	B₂	874	841	11.35
35	B₂	560	539	8.01
36	B₂	347	334	2.39

Atom	x (Å)	y (Å)	z (Å)
B1	-0.860	0.000	-0.464
B2	0.860	0.000	-0.464
B3	0.000	1.396	0.385
B4	0.000	-1.396	0.385
H5	-1.376	0.000	-1.539
H6	1.376	0.000	-1.539
H7	-1.329	0.914	0.280
H8	-1.329	-0.914	0.280
H9	1.329	-0.914	0.280
H10	1.329	0.914	0.280
H11	0.000	1.424	1.590
H12	0.000	2.433	-0.217
H13	0.000	-1.424	1.590
H14	0.000	-2.433	-0.217

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7193	1.8463	1.8463	1.1918	2.4800	1.2688	1.2688	2.4859	2.4859	2.6434	2.5921	2.6434	2.5921
B2	1.7193		1.8463	1.8463	2.4800	1.1918	2.4859	2.4859	1.2688	1.2688	2.6434	2.5921	2.6434	2.5921
B3	1.8463	1.8463		2.7914	2.7462	2.7462	1.4174	2.6670	2.6670	1.4174	1.2052	1.1993	3.0665	3.8756
B4	1.8463	1.8463	2.7914		2.7462	2.7462	2.6670	1.4174	1.4174	2.6670	3.0665	3.8756	1.2052	1.1993
H5	1.1918	2.4800	2.7462	2.7462		2.7511	2.0360	2.0360	3.3849	3.3849	3.7026	3.0915	3.7026	3.0915
H6	2.4800	1.1918	2.7462	2.7462	2.7511		3.3849	3.3849	2.0360	2.0360	3.7026	3.0915	3.7026	3.0915
H7	1.2688	2.4859	1.4174	2.6670	2.0360	3.3849		1.8284	3.2261	2.6580	1.9346	2.0783	2.9917	3.6354
H8	1.2688	2.4859	2.6670	1.4174	2.0360	3.3849	1.8284		2.6580	3.2261	2.9917	3.6354	1.9346	2.0783
H9	2.4859	1.2688	2.6670	1.4174	3.3849	2.0360	3.2261	2.6580		1.8284	2.9917	3.6354	1.9346	2.0783
H10	2.4859	1.2688	1.4174	2.6670	3.3849	2.0360	2.6580	3.2261	1.8284		1.9346	2.0783	2.9917	3.6354
H11	2.6434	2.6434	1.2052	3.0665	3.7026	3.7026	1.9346	2.9917	2.9917	1.9346		2.0695	2.8483	4.2593
H12	2.5921	2.5921	1.1993	3.8756	3.0915	3.0915	2.0783	3.6354	3.6354	2.0783	2.0695		4.2593	4.8657
H13	2.6434	2.6434	3.0665	1.2052	3.7026	3.7026	2.9917	1.9346	1.9346	2.9917	2.8483	4.2593		2.0695
H14	2.5921	2.5921	3.8756	1.1993	3.0915	3.0915	3.6354	2.0783	2.0783	3.6354	4.2593	4.8657	2.0695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.249	B1	B2	B4	62.249
B1	B2	H6	115.649	B1	B2	H9	111.709
B1	B2	H10	111.709	B1	B3	B2	55.501
B1	B3	H7	43.319	B1	B3	H10	98.371
B1	B3	H11	118.545	B1	B3	H12	115.004
B1	B4	B2	55.501	B1	B4	H8	43.319
B1	B4	H9	98.371	B1	B4	H13	118.545
B1	B4	H14	115.004	B1	H7	B3	86.648
B1	H8	B4	86.648	B2	B1	B3	62.249
B2	B1	B4	62.249	B2	B1	H5	115.649
B2	B1	H7	111.709	B2	B1	H8	111.709
B2	B3	H7	98.371	B2	B3	H10	43.319
B2	B3	H11	118.545	B2	B3	H12	115.004
B2	B4	H8	98.371	B2	B4	H9	43.319
B2	B4	H13	118.545	B2	B4	H14	115.004
B2	H9	B4	86.648	B2	H10	B3	86.648
B3	B1	B4	98.219	B3	B1	H5	128.049
B3	B1	H7	50.034	B3	B1	H8	116.552
B3	B2	B4	98.219	B3	B2	H6	128.049
B3	B2	H9	116.552	B3	B2	H10	50.034
B4	B1	H5	128.049	B4	B1	H7	116.552
B4	B1	H8	50.034	B4	B2	H6	128.049
B4	B2	H9	50.034	B4	B2	H10	116.552
H5	B1	H7	111.633	H5	B1	H8	111.633
H6	B2	H9	111.633	H6	B2	H10	111.633
H7	B1	H8	92.193	H7	B3	H10	139.303
H7	B3	H11	94.720	H7	B3	H12	104.861
H8	B4	H9	139.303	H8	B4	H13	94.720
H8	B4	H14	104.861	H9	B2	H10	92.193
H9	B4	H13	94.720	H9	B4	H14	104.861
H10	B3	H11	94.720	H10	B3	H12	104.861
H11	B3	H12	118.790	H13	B4	H14	118.790

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	-1.850
2	B	-1.850
3	B	-2.832
4	B	-2.832
5	H	0.838
6	H	0.838
7	H	0.869
8	H	0.869
9	H	0.869
10	H	0.869
11	H	1.100
12	H	1.004
13	H	1.100
14	H	1.004

<r²>	90.929
(<r²>)^1/2	9.536

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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