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	hartrees
Energy at 0K	-103.962912
Energy at 298.15K	-103.973793
HF Energy	-103.962912
Nuclear repulsion energy	104.470733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	2808	0.06
2	A₁	3145	2777	0.96
3	A₁	3028	2674	0.52
4	A₁	2449	2162	5.33
5	A₁	1658	1464	14.73
6	A₁	1329	1174	11.12
7	A₁	1144	1010	12.53
8	A₁	956	844	0.07
9	A₁	892	788	1.22
10	A₁	765	675	1.13
11	A₁	610	539	0.09
12	A₁	234	207	10.53
13	A₂	2496	2204	0.00
14	A₂	1505	1329	0.00
15	A₂	1195	1056	0.00
16	A₂	1154	1019	0.00
17	A₂	958	846	0.00
18	A₂	726	641	0.00
19	A₂	431	381	0.00
20	B₁	3143	2776	0.12
21	B₁	2457	2170	138.45
22	B₁	1592	1406	14.37
23	B₁	1233	1089	13.83
24	B₁	1127	995	72.54
25	B₁	1026	906	33.95
26	B₁	810	716	0.01
27	B₁	626	553	24.85
28	B₂	3180	2808	0.87
29	B₂	3029	2675	3.45
30	B₂	2492	2201	43.53
31	B₂	1425	1259	1.91
32	B₂	1314	1160	39.53
33	B₂	1018	899	4.62
34	B₂	947	836	68.53
35	B₂	491	434	11.19
36	B₂	406	359	1.72

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.470
B2	0.858	0.000	-0.470
B3	0.000	1.408	0.403
B4	0.000	-1.408	0.403
H5	-1.331	0.000	-1.528
H6	1.331	0.000	-1.528
H7	-1.356	0.921	0.229
H8	-1.356	-0.921	0.229
H9	1.356	-0.921	0.229
H10	1.356	0.921	0.229
H11	0.000	1.397	1.572
H12	0.000	2.422	-0.170
H13	0.000	-1.397	1.572
H14	0.000	-2.422	-0.170

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7154	1.8657	1.8657	1.1595	2.4312	1.2590	1.2590	2.4974	2.4974	2.6183	2.5867	2.6183	2.5867
B2	1.7154		1.8657	1.8657	2.4312	1.1595	2.4974	2.4974	1.2590	1.2590	2.6183	2.5867	2.6183	2.5867
B3	1.8657	1.8657		2.8164	2.7358	2.7358	1.4513	2.7008	2.7008	1.4513	1.1685	1.1647	3.0392	3.8728
B4	1.8657	1.8657	2.8164		2.7358	2.7358	2.7008	1.4513	1.4513	2.7008	3.0392	3.8728	1.1685	1.1647
H5	1.1595	2.4312	2.7358	2.7358		2.6619	1.9843	1.9843	3.3401	3.3401	3.6515	3.0792	3.6515	3.0792
H6	2.4312	1.1595	2.7358	2.7358	2.6619		3.3401	3.3401	1.9843	1.9843	3.6515	3.0792	3.6515	3.0792
H7	1.2590	2.4974	1.4513	2.7008	1.9843	3.3401		1.8421	3.2784	2.7119	1.9666	2.0618	3.0027	3.6296
H8	1.2590	2.4974	2.7008	1.4513	1.9843	3.3401	1.8421		2.7119	3.2784	3.0027	3.6296	1.9666	2.0618
H9	2.4974	1.2590	2.7008	1.4513	3.3401	1.9843	3.2784	2.7119		1.8421	3.0027	3.6296	1.9666	2.0618
H10	2.4974	1.2590	1.4513	2.7008	3.3401	1.9843	2.7119	3.2784	1.8421		1.9666	2.0618	3.0027	3.6296
H11	2.6183	2.6183	1.1685	3.0392	3.6515	3.6515	1.9666	3.0027	3.0027	1.9666		2.0208	2.7949	4.1979
H12	2.5867	2.5867	1.1647	3.8728	3.0792	3.0792	2.0618	3.6296	3.6296	2.0618	2.0208		4.1979	4.8439
H13	2.6183	2.6183	3.0392	1.1685	3.6515	3.6515	3.0027	1.9666	1.9666	3.0027	2.7949	4.1979		2.0208
H14	2.5867	2.5867	3.8728	1.1647	3.0792	3.0792	3.6296	2.0618	2.0618	3.6296	4.1979	4.8439	2.0208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.630	B1	B2	B4	62.630
B1	B2	H6	114.088	B1	B2	H9	113.313
B1	B2	H10	113.313	B1	B3	B2	54.740
B1	B3	H7	42.354	B1	B3	H10	96.897
B1	B3	H11	117.448	B1	B3	H12	115.252
B1	B4	B2	54.740	B1	B4	H8	42.354
B1	B4	H9	96.897	B1	B4	H13	117.448
B1	B4	H14	115.252	B1	H7	B3	86.695
B1	H8	B4	86.695	B2	B1	B3	62.630
B2	B1	B4	62.630	B2	B1	H5	114.088
B2	B1	H7	113.313	B2	B1	H8	113.313
B2	B3	H7	96.897	B2	B3	H10	42.354
B2	B3	H11	117.448	B2	B3	H12	115.252
B2	B4	H8	96.897	B2	B4	H9	42.354
B2	B4	H13	117.448	B2	B4	H14	115.252
B2	H9	B4	86.695	B2	H10	B3	86.695
B3	B1	B4	98.016	B3	B1	H5	127.936
B3	B1	H7	50.951	B3	B1	H8	118.318
B3	B2	B4	98.016	B3	B2	H6	127.936
B3	B2	H9	118.318	B3	B2	H10	50.951
B4	B1	H5	127.936	B4	B1	H7	118.318
B4	B1	H8	50.951	B4	B2	H6	127.936
B4	B2	H9	50.951	B4	B2	H10	118.318
H5	B1	H7	110.199	H5	B1	H8	110.199
H6	B2	H9	110.199	H6	B2	H10	110.199
H7	B1	H8	94.034	H7	B3	H10	138.237
H7	B3	H11	96.707	H7	B3	H12	103.482
H8	B4	H9	138.237	H8	B4	H13	96.707
H8	B4	H14	103.482	H9	B2	H10	94.034
H9	B4	H13	96.707	H9	B4	H14	103.482
H10	B3	H11	96.707	H10	B3	H12	103.482
H11	B3	H12	120.022	H13	B4	H14	120.022

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.120
2	B	-0.120
3	B	-0.019
4	B	-0.019
5	H	0.008
6	H	0.008
7	H	0.075
8	H	0.075
9	H	0.075
10	H	0.075
11	H	-0.010
12	H	-0.009
13	H	-0.010
14	H	-0.009

<r²>	89.572
(<r²>)^1/2	9.464

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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