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	hartrees
Energy at 0K	-16.409816
Energy at 298.15K	-16.420539
HF Energy	-16.409816
Nuclear repulsion energy	55.267364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2813	2535	302.71
2	A₁	2799	2523	22.01
3	A₁	2703	2437	94.45
4	A₁	2314	2086	127.79
5	A₁	1579	1424	35.89
6	A₁	1214	1095	19.28
7	A₁	1128	1017	0.04
8	A₁	907	818	4.88
9	A₁	826	744	0.17
10	A₁	723	652	2.60
11	A₁	517	466	0.01
12	A₁	241	218	3.77
13	A₂	2316	2087	0.00
14	A₂	1480	1334	0.00
15	A₂	1163	1048	0.00
16	A₂	1104	995	0.00
17	A₂	881	795	0.00
18	A₂	601	541	0.00
19	A₂	425	383	0.00
20	B₁	2796	2520	62.70
21	B₁	2281	2056	8.75
22	B₁	1555	1402	115.06
23	B₁	1206	1087	1.43
24	B₁	1103	994	76.63
25	B₁	958	864	40.17
26	B₁	826	745	4.97
27	B₁	559	504	74.21
28	B₂	2794	2519	118.90
29	B₂	2698	2432	134.76
30	B₂	2330	2100	497.60
31	B₂	1361	1227	0.13
32	B₂	1195	1078	58.28
33	B₂	1013	913	5.78
34	B₂	837	755	184.23
35	B₂	433	390	9.28
36	B₂	133	120	3.70

Atom	x (Å)	y (Å)	z (Å)
B1	-0.878	0.000	-0.487
B2	0.878	0.000	-0.487
B3	0.000	1.462	0.423
B4	0.000	-1.462	0.423
H5	-1.383	0.000	-1.555
H6	1.383	0.000	-1.555
H7	-1.343	0.940	0.217
H8	-1.343	-0.940	0.217
H9	1.343	-0.940	0.217
H10	1.343	0.940	0.217
H11	0.000	1.448	1.615
H12	0.000	2.487	-0.177
H13	0.000	-1.448	1.615
H14	0.000	-2.487	-0.177

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7565	1.9328	1.9328	1.1821	2.5015	1.2632	1.2632	2.5125	2.5125	2.6990	2.6556	2.6990	2.6556
B2	1.7565		1.9328	1.9328	2.5015	1.1821	2.5125	2.5125	1.2632	1.2632	2.6990	2.6556	2.6990	2.6556
B3	1.9328	1.9328		2.9231	2.8223	2.8223	1.4549	2.7595	2.7595	1.4549	1.1920	1.1885	3.1439	3.9941
B4	1.9328	1.9328	2.9231		2.8223	2.8223	2.7595	1.4549	1.4549	2.7595	3.1439	3.9941	1.1920	1.1885
H5	1.1821	2.5015	2.8223	2.8223		2.7670	2.0071	2.0071	3.3851	3.3851	3.7500	3.1620	3.7500	3.1620
H6	2.5015	1.1821	2.8223	2.8223	2.7670		3.3851	3.3851	2.0071	2.0071	3.7500	3.1620	3.7500	3.1620
H7	1.2632	2.5125	1.4549	2.7595	2.0071	3.3851		1.8809	3.2785	2.6853	2.0035	2.0858	3.0757	3.7022
H8	1.2632	2.5125	2.7595	1.4549	2.0071	3.3851	1.8809		2.6853	3.2785	3.0757	3.7022	2.0035	2.0858
H9	2.5125	1.2632	2.7595	1.4549	3.3851	2.0071	3.2785	2.6853		1.8809	3.0757	3.7022	2.0035	2.0858
H10	2.5125	1.2632	1.4549	2.7595	3.3851	2.0071	2.6853	3.2785	1.8809		2.0035	2.0858	3.0757	3.7022
H11	2.6990	2.6990	1.1920	3.1439	3.7500	3.7500	2.0035	3.0757	3.0757	2.0035		2.0722	2.8953	4.3238
H12	2.6556	2.6556	1.1885	3.9941	3.1620	3.1620	2.0858	3.7022	3.7022	2.0858	2.0722		4.3238	4.9741
H13	2.6990	2.6990	3.1439	1.1920	3.7500	3.7500	3.0757	2.0035	2.0035	3.0757	2.8953	4.3238		2.0722
H14	2.6556	2.6556	3.9941	1.1885	3.1620	3.1620	3.7022	2.0858	2.0858	3.7022	4.3238	4.9741	2.0722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.973	B1	B2	B4	62.973
B1	B2	H6	115.301	B1	B2	H9	111.568
B1	B2	H10	111.568	B1	B3	B2	54.055
B1	B3	H7	40.811	B1	B3	H10	94.695
B1	B3	H11	117.513	B1	B3	H12	114.487
B1	B4	B2	54.055	B1	B4	H8	40.811
B1	B4	H9	94.695	B1	B4	H13	117.513
B1	B4	H14	114.487	B1	H7	B3	90.362
B1	H8	B4	90.362	B2	B1	B3	62.973
B2	B1	B4	62.973	B2	B1	H5	115.301
B2	B1	H7	111.568	B2	B1	H8	111.568
B2	B3	H7	94.695	B2	B3	H10	40.811
B2	B3	H11	117.513	B2	B3	H12	114.487
B2	B4	H8	94.695	B2	B4	H9	40.811
B2	B4	H13	117.513	B2	B4	H14	114.487
B2	H9	B4	90.362	B2	H10	B3	90.362
B3	B1	B4	98.261	B3	B1	H5	128.306
B3	B1	H7	48.827	B3	B1	H8	117.882
B3	B2	B4	98.261	B3	B2	H6	128.306
B3	B2	H9	117.882	B3	B2	H10	48.827
B4	B1	H5	128.306	B4	B1	H7	117.882
B4	B1	H8	48.827	B4	B2	H6	128.306
B4	B2	H9	48.827	B4	B2	H10	117.882
H5	B1	H7	110.288	H5	B1	H8	110.288
H6	B2	H9	110.288	H6	B2	H10	110.288
H7	B1	H8	96.233	H7	B3	H10	134.695
H7	B3	H11	97.897	H7	B3	H12	103.738
H8	B4	H9	134.695	H8	B4	H13	97.897
H8	B4	H14	103.738	H9	B2	H10	96.233
H9	B4	H13	97.897	H9	B4	H14	103.738
H10	B3	H11	97.897	H10	B3	H12	103.738
H11	B3	H12	121.033	H13	B4	H14	121.033

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

using model chemistry: HF/CEP-31G

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	-0.089
2	B	-0.089
3	B	-0.335
4	B	-0.335
5	H	0.108
6	H	0.108
7	H	0.079
8	H	0.079
9	H	0.079
10	H	0.079
11	H	0.082
12	H	0.076
13	H	0.082
14	H	0.076

<r²>	81.626
(<r²>)^1/2	9.035

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

using model chemistry: HF/CEP-31G

States and conformations

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