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	hartrees
Energy at 0K	-105.404660
Energy at 298.15K	-105.415657
HF Energy	-105.404660
Nuclear repulsion energy	104.257763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2704	2608	112.52
2	A₁	2683	2587	36.71
3	A₁	2598	2505	58.74
4	A₁	2240	2160	14.12
5	A₁	1573	1517	8.46
6	A₁	1182	1140	9.78
7	A₁	1004	968	4.25
8	A₁	861	830	0.00
9	A₁	804	776	0.87
10	A₁	675	651	0.01
11	A₁	560	540	0.11
12	A₁	215	207	7.54
13	A₂	2271	2190	0.00
14	A₂	1464	1412	0.00
15	A₂	1087	1048	0.00
16	A₂	1036	999	0.00
17	A₂	913	881	0.00
18	A₂	680	656	0.00
19	A₂	423	408	0.00
20	B₁	2696	2600	36.97
21	B₁	2245	2165	8.50
22	B₁	1533	1478	47.27
23	B₁	1104	1065	12.50
24	B₁	1011	975	51.32
25	B₁	916	883	14.27
26	B₁	765	738	0.90
27	B₁	570	550	19.97
28	B₂	2685	2589	89.67
29	B₂	2594	2501	83.72
30	B₂	2259	2178	135.24
31	B₂	1328	1280	6.21
32	B₂	1166	1124	38.37
33	B₂	948	914	22.71
34	B₂	886	855	30.28
35	B₂	478	461	9.31
36	B₂	365	352	1.37

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	0.390
B4	0.000	-1.413	0.390
H5	-1.378	0.000	-1.529
H6	1.378	0.000	-1.529
H7	-1.317	0.919	0.264
H8	-1.317	-0.919	0.264
H9	1.317	-0.919	0.264
H10	1.317	0.919	0.264
H11	0.000	1.454	1.584
H12	0.000	2.435	-0.221
H13	0.000	-1.454	1.584
H14	0.000	-2.435	-0.221

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7223	1.8615	1.8615	1.1848	2.4798	1.2572	1.2572	2.4736	2.4736	2.6542	2.5942	2.6542	2.5942
B2	1.7223		1.8615	1.8615	2.4798	1.1848	2.4736	2.4736	1.2572	1.2572	2.6542	2.5942	2.6542	2.5942
B3	1.8615	1.8615		2.8269	2.7524	2.7524	1.4127	2.6815	2.6815	1.4127	1.1954	1.1902	3.1064	3.8966
B4	1.8615	1.8615	2.8269		2.7524	2.7524	2.6815	1.4127	1.4127	2.6815	3.1064	3.8966	1.1954	1.1902
H5	1.1848	2.4798	2.7524	2.7524		2.7553	2.0157	2.0157	3.3649	3.3649	3.7018	3.0884	3.7018	3.0884
H6	2.4798	1.1848	2.7524	2.7524	2.7553		3.3649	3.3649	2.0157	2.0157	3.7018	3.0884	3.7018	3.0884
H7	1.2572	2.4736	1.4127	2.6815	2.0157	3.3649		1.8376	3.2123	2.6348	1.9401	2.0665	3.0180	3.6359
H8	1.2572	2.4736	2.6815	1.4127	2.0157	3.3649	1.8376		2.6348	3.2123	3.0180	3.6359	1.9401	2.0665
H9	2.4736	1.2572	2.6815	1.4127	3.3649	2.0157	3.2123	2.6348		1.8376	3.0180	3.6359	1.9401	2.0665
H10	2.4736	1.2572	1.4127	2.6815	3.3649	2.0157	2.6348	3.2123	1.8376		1.9401	2.0665	3.0180	3.6359
H11	2.6542	2.6542	1.1954	3.1064	3.7018	3.7018	1.9401	3.0180	3.0180	1.9401		2.0545	2.9082	4.2877
H12	2.5942	2.5942	1.1902	3.8966	3.0884	3.0884	2.0665	3.6359	3.6359	2.0665	2.0545		4.2877	4.8702
H13	2.6542	2.6542	3.1064	1.1954	3.7018	3.7018	3.0180	1.9401	1.9401	3.0180	2.9082	4.2877		2.0545
H14	2.5942	2.5942	3.8966	1.1902	3.0884	3.0884	3.6359	2.0665	2.0665	3.6359	4.2877	4.8702	2.0545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.444	B1	B2	B4	62.444
B1	B2	H6	115.844	B1	B2	H9	111.278
B1	B2	H10	111.278	B1	B3	B2	55.111
B1	B3	H7	42.457	B1	B3	H10	97.180
B1	B3	H11	118.898	B1	B3	H12	114.646
B1	B4	B2	55.111	B1	B4	H8	42.457
B1	B4	H9	97.180	B1	B4	H13	118.898
B1	B4	H14	114.646	B1	H7	B3	88.207
B1	H8	B4	88.207	B2	B1	B3	62.444
B2	B1	B4	62.444	B2	B1	H5	115.844
B2	B1	H7	111.278	B2	B1	H8	111.278
B2	B3	H7	97.180	B2	B3	H10	42.457
B2	B3	H11	118.898	B2	B3	H12	114.646
B2	B4	H8	97.180	B2	B4	H9	42.457
B2	B4	H13	118.898	B2	B4	H14	114.646
B2	H9	B4	88.207	B2	H10	B3	88.207
B3	B1	B4	98.802	B3	B1	H5	127.849
B3	B1	H7	49.336	B3	B1	H8	117.268
B3	B2	B4	98.802	B3	B2	H6	127.849
B3	B2	H9	117.268	B3	B2	H10	49.336
B4	B1	H5	127.849	B4	B1	H7	117.268
B4	B1	H8	49.336	B4	B2	H6	127.849
B4	B2	H9	49.336	B4	B2	H10	117.268
H5	B1	H7	111.230	H5	B1	H8	111.230
H6	B2	H9	111.230	H6	B2	H10	111.230
H7	B1	H8	93.908	H7	B3	H10	137.656
H7	B3	H11	95.766	H7	B3	H12	104.780
H8	B4	H9	137.656	H8	B4	H13	95.766
H8	B4	H14	104.780	H9	B2	H10	93.908
H9	B4	H13	95.766	H9	B4	H14	104.780
H10	B3	H11	95.766	H10	B3	H12	104.780
H11	B3	H12	118.911	H13	B4	H14	118.911

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

using model chemistry: B3LYP/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	-0.063
2	B	-0.063
3	B	-0.148
4	B	-0.148
5	H	0.031
6	H	0.031
7	H	0.076
8	H	0.076
9	H	0.076
10	H	0.076
11	H	0.013
12	H	0.016
13	H	0.013
14	H	0.016

<r²>	91.555
(<r²>)^1/2	9.568

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

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

States and conformations

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