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	hartrees
Energy at 0K	-104.628345
Energy at 298.15K	-104.639565
HF Energy	-104.628345
Nuclear repulsion energy	104.716577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2759	2658	51.78
2	A₁	2735	2634	21.77
3	A₁	2633	2537	27.58
4	A₁	2242	2160	9.94
5	A₁	1566	1508	8.05
6	A₁	1181	1137	5.41
7	A₁	1008	971	5.27
8	A₁	870	838	0.40
9	A₁	831	801	0.01
10	A₁	708	682	0.20
11	A₁	610	588	0.23
12	A₁	252	242	6.79
13	A₂	2277	2193	0.00
14	A₂	1467	1413	0.00
15	A₂	1129	1088	0.00
16	A₂	1055	1016	0.00
17	A₂	933	899	0.00
18	A₂	693	668	0.00
19	A₂	414	399	0.00
20	B₁	2751	2650	20.83
21	B₁	2247	2164	14.92
22	B₁	1520	1464	23.57
23	B₁	1139	1097	1.91
24	B₁	1062	1023	29.26
25	B₁	935	901	17.15
26	B₁	740	713	0.88
27	B₁	605	583	21.92
28	B₂	2737	2637	53.20
29	B₂	2633	2536	54.26
30	B₂	2261	2178	83.53
31	B₂	1325	1276	3.19
32	B₂	1160	1118	21.31
33	B₂	912	878	2.47
34	B₂	884	852	38.28
35	B₂	548	528	4.95
36	B₂	389	375	5.42

Atom	x (Å)	y (Å)	z (Å)
B1	-0.856	0.000	-0.482
B2	0.856	0.000	-0.482
B3	0.000	1.377	0.404
B4	0.000	-1.377	0.404
H5	-1.362	0.000	-1.554
H6	1.362	0.000	-1.554
H7	-1.335	0.915	0.247
H8	-1.335	-0.915	0.247
H9	1.335	-0.915	0.247
H10	1.335	0.915	0.247
H11	0.000	1.338	1.602
H12	0.000	2.430	-0.156
H13	0.000	-1.338	1.602
H14	0.000	-2.430	-0.156

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7124	1.8478	1.8478	1.1852	2.4635	1.2645	1.2645	2.4845	2.4845	2.6200	2.5974	2.6200	2.5974
B2	1.7124		1.8478	1.8478	2.4635	1.1852	2.4845	2.4845	1.2645	1.2645	2.6200	2.5974	2.6200	2.5974
B3	1.8478	1.8478		2.7543	2.7539	2.7539	1.4218	2.6577	2.6577	1.4218	1.1981	1.1930	2.9677	3.8486
B4	1.8478	1.8478	2.7543		2.7539	2.7539	2.6577	1.4218	1.4218	2.6577	2.9677	3.8486	1.1981	1.1930
H5	1.1852	2.4635	2.7539	2.7539		2.7237	2.0204	2.0204	3.3700	3.3700	3.6880	3.1169	3.6880	3.1169
H6	2.4635	1.1852	2.7539	2.7539	2.7237		3.3700	3.3700	2.0204	2.0204	3.6880	3.1169	3.6880	3.1169
H7	1.2645	2.4845	1.4218	2.6577	2.0204	3.3700		1.8305	3.2380	2.6710	1.9485	2.0596	2.9489	3.6249
H8	1.2645	2.4845	2.6577	1.4218	2.0204	3.3700	1.8305		2.6710	3.2380	2.9489	3.6249	1.9485	2.0596
H9	2.4845	1.2645	2.6577	1.4218	3.3700	2.0204	3.2380	2.6710		1.8305	2.9489	3.6249	1.9485	2.0596
H10	2.4845	1.2645	1.4218	2.6577	3.3700	2.0204	2.6710	3.2380	1.8305		1.9485	2.0596	2.9489	3.6249
H11	2.6200	2.6200	1.1981	2.9677	3.6880	3.6880	1.9485	2.9489	2.9489	1.9485		2.0694	2.6764	4.1584
H12	2.5974	2.5974	1.1930	3.8486	3.1169	3.1169	2.0596	3.6249	3.6249	2.0596	2.0694		4.1584	4.8610
H13	2.6200	2.6200	2.9677	1.1981	3.6880	3.6880	2.9489	1.9485	1.9485	2.9489	2.6764	4.1584		2.0694
H14	2.5974	2.5974	3.8486	1.1930	3.1169	3.1169	3.6249	2.0596	2.0596	3.6249	4.1584	4.8610	2.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.397	B1	B2	B4	62.397
B1	B2	H6	115.257	B1	B2	H9	112.274
B1	B2	H10	112.274	B1	B3	B2	55.207
B1	B3	H7	43.096	B1	B3	H10	98.062
B1	B3	H11	117.062	B1	B3	H12	115.655
B1	B4	B2	55.207	B1	B4	H8	43.096
B1	B4	H9	98.062	B1	B4	H13	117.062
B1	B4	H14	115.655	B1	H7	B3	86.714
B1	H8	B4	86.714	B2	B1	B3	62.397
B2	B1	B4	62.397	B2	B1	H5	115.257
B2	B1	H7	112.274	B2	B1	H8	112.274
B2	B3	H7	98.062	B2	B3	H10	43.096
B2	B3	H11	117.062	B2	B3	H12	115.655
B2	B4	H8	98.062	B2	B4	H9	43.096
B2	B4	H13	117.062	B2	B4	H14	115.655
B2	H9	B4	86.714	B2	H10	B3	86.714
B3	B1	B4	96.368	B3	B1	H5	129.146
B3	B1	H7	50.190	B3	B1	H8	116.017
B3	B2	B4	96.368	B3	B2	H6	129.146
B3	B2	H9	116.017	B3	B2	H10	50.190
B4	B1	H5	129.146	B4	B1	H7	116.017
B4	B1	H8	50.190	B4	B2	H6	129.146
B4	B2	H9	50.190	B4	B2	H10	116.017
H5	B1	H7	111.084	H5	B1	H8	111.084
H6	B2	H9	111.084	H6	B2	H10	111.084
H7	B1	H8	92.738	H7	B3	H10	139.872
H7	B3	H11	95.719	H7	B3	H12	103.595
H8	B4	H9	139.872	H8	B4	H13	95.719
H8	B4	H14	103.595	H9	B2	H10	92.738
H9	B4	H13	95.719	H9	B4	H14	103.595
H10	B3	H11	95.719	H10	B3	H12	103.595
H11	B3	H12	119.864	H13	B4	H14	119.864

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

using model chemistry: HSEh1PBE/3-21G

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	-0.399
2	B	-0.399
3	B	-0.350
4	B	-0.350
5	H	0.124
6	H	0.124
7	H	0.182
8	H	0.182
9	H	0.182
10	H	0.182
11	H	0.144
12	H	0.117
13	H	0.144
14	H	0.117

<r²>	90.368
(<r²>)^1/2	9.506

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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