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	hartrees
Energy at 0K	-105.281071
Energy at 298.15K	-105.291890
HF Energy	-105.281071
Nuclear repulsion energy	103.608023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2645	2631	112.81
2	A₁	2625	2611	34.54
3	A₁	2542	2528	58.81
4	A₁	2173	2162	12.52
5	A₁	1522	1514	6.57
6	A₁	1153	1147	9.21
7	A₁	973	968	5.06
8	A₁	837	833	0.00
9	A₁	783	779	0.78
10	A₁	656	652	0.11
11	A₁	541	539	0.12
12	A₁	212	211	7.62
13	A₂	2203	2191	0.00
14	A₂	1405	1398	0.00
15	A₂	1057	1052	0.00
16	A₂	1009	1004	0.00
17	A₂	882	877	0.00
18	A₂	660	656	0.00
19	A₂	412	409	0.00
20	B₁	2637	2623	36.37
21	B₁	2183	2171	5.48
22	B₁	1476	1468	39.54
23	B₁	1074	1069	11.17
24	B₁	982	977	46.36
25	B₁	890	885	13.97
26	B₁	741	737	0.79
27	B₁	549	546	18.00
28	B₂	2627	2613	91.71
29	B₂	2537	2523	82.66
30	B₂	2189	2178	126.46
31	B₂	1285	1279	10.53
32	B₂	1135	1129	33.65
33	B₂	920	915	21.43
34	B₂	863	859	26.58
35	B₂	456	454	9.03
36	B₂	356	354	0.67

Atom	x (Å)	y (Å)	z (Å)
B1	-0.866	0.000	-0.465
B2	0.866	0.000	-0.465
B3	0.000	1.425	0.391
B4	0.000	-1.425	0.391
H5	-1.386	0.000	-1.536
H6	1.386	0.000	-1.536
H7	-1.325	0.925	0.267
H8	-1.325	-0.925	0.267
H9	1.325	-0.925	0.267
H10	1.325	0.925	0.267
H11	0.000	1.467	1.592
H12	0.000	2.450	-0.224
H13	0.000	-1.467	1.592
H14	0.000	-2.450	-0.224

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7310	1.8740	1.8740	1.1911	2.4934	1.2660	1.2660	2.4880	2.4880	2.6706	2.6096	2.6706	2.6096
B2	1.7310		1.8740	1.8740	2.4934	1.1911	2.4880	2.4880	1.2660	1.2660	2.6706	2.6096	2.6706	2.6096
B3	1.8740	1.8740		2.8493	2.7687	2.7687	1.4214	2.7008	2.7008	1.4214	1.2016	1.1962	3.1310	3.9234
B4	1.8740	1.8740	2.8493		2.7687	2.7687	2.7008	1.4214	1.4214	2.7008	3.1310	3.9234	1.2016	1.1962
H5	1.1911	2.4934	2.7687	2.7687		2.7719	2.0275	2.0275	3.3847	3.3847	3.7228	3.1055	3.7228	3.1055
H6	2.4934	1.1911	2.7687	2.7687	2.7719		3.3847	3.3847	2.0275	2.0275	3.7228	3.1055	3.7228	3.1055
H7	1.2660	2.4880	1.4214	2.7008	2.0275	3.3847		1.8509	3.2324	2.6500	1.9508	2.0789	3.0390	3.6595
H8	1.2660	2.4880	2.7008	1.4214	2.0275	3.3847	1.8509		2.6500	3.2324	3.0390	3.6595	1.9508	2.0789
H9	2.4880	1.2660	2.7008	1.4214	3.3847	2.0275	3.2324	2.6500		1.8509	3.0390	3.6595	1.9508	2.0789
H10	2.4880	1.2660	1.4214	2.7008	3.3847	2.0275	2.6500	3.2324	1.8509		1.9508	2.0789	3.0390	3.6595
H11	2.6706	2.6706	1.2016	3.1310	3.7228	3.7228	1.9508	3.0390	3.0390	1.9508		2.0658	2.9337	4.3178
H12	2.6096	2.6096	1.1962	3.9234	3.1055	3.1055	2.0789	3.6595	3.6595	2.0789	2.0658		4.3178	4.9003
H13	2.6706	2.6706	3.1310	1.2016	3.7228	3.7228	3.0390	1.9508	1.9508	3.0390	2.9337	4.3178		2.0658
H14	2.6096	2.6096	3.9234	1.1962	3.1055	3.1055	3.6595	2.0789	2.0789	3.6595	4.3178	4.9003	2.0658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.493	B1	B2	B4	62.493
B1	B2	H6	115.911	B1	B2	H9	111.282
B1	B2	H10	111.282	B1	B3	B2	55.015
B1	B3	H7	42.475	B1	B3	H10	97.096
B1	B3	H11	118.901	B1	B3	H12	114.615
B1	B4	B2	55.015	B1	B4	H8	42.475
B1	B4	H9	97.096	B1	B4	H13	118.901
B1	B4	H14	114.615	B1	H7	B3	88.224
B1	H8	B4	88.224	B2	B1	B3	62.493
B2	B1	B4	62.493	B2	B1	H5	115.911
B2	B1	H7	111.282	B2	B1	H8	111.282
B2	B3	H7	97.096	B2	B3	H10	42.475
B2	B3	H11	118.901	B2	B3	H12	114.615
B2	B4	H8	97.096	B2	B4	H9	42.475
B2	B4	H13	118.901	B2	B4	H14	114.615
B2	H9	B4	88.224	B2	H10	B3	88.224
B3	B1	B4	98.969	B3	B1	H5	127.790
B3	B1	H7	49.300	B3	B1	H8	117.346
B3	B2	B4	98.969	B3	B2	H6	127.790
B3	B2	H9	117.346	B3	B2	H10	49.300
B4	B1	H5	127.790	B4	B1	H7	117.346
B4	B1	H8	49.300	B4	B2	H6	127.790
B4	B2	H9	49.300	B4	B2	H10	117.346
H5	B1	H7	111.171	H5	B1	H8	111.171
H6	B2	H9	111.171	H6	B2	H10	111.171
H7	B1	H8	93.940	H7	B3	H10	137.560
H7	B3	H11	95.735	H7	B3	H12	104.829
H8	B4	H9	137.560	H8	B4	H13	95.735
H8	B4	H14	104.829	H9	B2	H10	93.940
H9	B4	H13	95.735	H9	B4	H14	104.829
H10	B3	H11	95.735	H10	B3	H12	104.829
H11	B3	H12	118.973	H13	B4	H14	118.973

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

using model chemistry: BLYP/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	-0.052
2	B	-0.052
3	B	-0.167
4	B	-0.167
5	H	0.028
6	H	0.028
7	H	0.080
8	H	0.080
9	H	0.080
10	H	0.080
11	H	0.012
12	H	0.019
13	H	0.012
14	H	0.019

<r²>	92.643
(<r²>)^1/2	9.625

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

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

States and conformations

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