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	hartrees
Energy at 0K	-105.404619
Energy at 298.15K	-105.415632
HF Energy	-105.404619
Nuclear repulsion energy	104.267517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2705	2604	113.04
2	A₁	2684	2584	35.86
3	A₁	2599	2502	58.40
4	A₁	2238	2155	14.38
5	A₁	1569	1510	8.52
6	A₁	1185	1140	9.99
7	A₁	1005	968	4.33
8	A₁	861	829	0.01
9	A₁	805	775	0.87
10	A₁	678	652	0.01
11	A₁	558	537	0.11
12	A₁	225	217	7.46
13	A₂	2269	2184	0.00
14	A₂	1460	1405	0.00
15	A₂	1087	1047	0.00
16	A₂	1037	998	0.00
17	A₂	913	879	0.00
18	A₂	680	654	0.00
19	A₂	426	410	0.00
20	B₁	2696	2596	36.83
21	B₁	2243	2160	8.34
22	B₁	1529	1472	47.36
23	B₁	1105	1064	11.91
24	B₁	1013	975	52.01
25	B₁	917	883	14.35
26	B₁	765	737	0.77
27	B₁	573	552	20.04
28	B₂	2686	2586	90.17
29	B₂	2594	2497	83.78
30	B₂	2256	2172	134.85
31	B₂	1324	1275	5.99
32	B₂	1166	1123	38.41
33	B₂	946	910	22.34
34	B₂	884	851	30.35
35	B₂	467	449	9.55
36	B₂	371	357	1.30

Atom	x (Å)	y (Å)	z (Å)
B1	-0.861	0.000	-0.464
B2	0.861	0.000	-0.464
B3	0.000	1.412	0.391
B4	0.000	-1.412	0.391
H5	-1.378	0.000	-1.530
H6	1.378	0.000	-1.530
H7	-1.317	0.920	0.262
H8	-1.317	-0.920	0.262
H9	1.317	-0.920	0.262
H10	1.317	0.920	0.262
H11	0.000	1.447	1.586
H12	0.000	2.436	-0.215
H13	0.000	-1.447	1.586
H14	0.000	-2.436	-0.215

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7215	1.8618	1.8618	1.1848	2.4793	1.2574	1.2574	2.4732	2.4732	2.6527	2.5959	2.6527	2.5959
B2	1.7215		1.8618	1.8618	2.4793	1.1848	2.4732	2.4732	1.2574	1.2574	2.6527	2.5959	2.6527	2.5959
B3	1.8618	1.8618		2.8241	2.7538	2.7538	1.4124	2.6812	2.6812	1.4124	1.1953	1.1902	3.0985	3.8958
B4	1.8618	1.8618	2.8241		2.7538	2.7538	2.6812	1.4124	1.4124	2.6812	3.0985	3.8958	1.1953	1.1902
H5	1.1848	2.4793	2.7538	2.7538		2.7551	2.0151	2.0151	3.3645	3.3645	3.7016	3.0924	3.7016	3.0924
H6	2.4793	1.1848	2.7538	2.7538	2.7551		3.3645	3.3645	2.0151	2.0151	3.7016	3.0924	3.7016	3.0924
H7	1.2574	2.4732	1.4124	2.6812	2.0151	3.3645		1.8391	3.2132	2.6348	1.9409	2.0648	3.0148	3.6366
H8	1.2574	2.4732	2.6812	1.4124	2.0151	3.3645	1.8391		2.6348	3.2132	3.0148	3.6366	1.9409	2.0648
H9	2.4732	1.2574	2.6812	1.4124	3.3645	2.0151	3.2132	2.6348		1.8391	3.0148	3.6366	1.9409	2.0648
H10	2.4732	1.2574	1.4124	2.6812	3.3645	2.0151	2.6348	3.2132	1.8391		1.9409	2.0648	3.0148	3.6366
H11	2.6527	2.6527	1.1953	3.0985	3.7016	3.7016	1.9409	3.0148	3.0148	1.9409		2.0550	2.8936	4.2805
H12	2.5959	2.5959	1.1902	3.8958	3.0924	3.0924	2.0648	3.6366	3.6366	2.0648	2.0550		4.2805	4.8726
H13	2.6527	2.6527	3.0985	1.1953	3.7016	3.7016	3.0148	1.9409	1.9409	3.0148	2.8936	4.2805		2.0550
H14	2.5959	2.5959	3.8958	1.1902	3.0924	3.0924	3.6366	2.0648	2.0648	3.6366	4.2805	4.8726	2.0550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.463	B1	B2	B4	62.463
B1	B2	H6	115.861	B1	B2	H9	111.296
B1	B2	H10	111.296	B1	B3	B2	55.075
B1	B3	H7	42.456	B1	B3	H10	97.162
B1	B3	H11	118.765	B1	B3	H12	114.750
B1	B4	B2	55.075	B1	B4	H8	42.456
B1	B4	H9	97.162	B1	B4	H13	118.765
B1	B4	H14	114.750	B1	H7	B3	88.233
B1	H8	B4	88.233	B2	B1	B3	62.463
B2	B1	B4	62.463	B2	B1	H5	115.861
B2	B1	H7	111.296	B2	B1	H8	111.296
B2	B3	H7	97.162	B2	B3	H10	42.456
B2	B3	H11	118.765	B2	B3	H12	114.750
B2	B4	H8	97.162	B2	B4	H9	42.456
B2	B4	H13	118.765	B2	B4	H14	114.750
B2	H9	B4	88.233	B2	H10	B3	88.233
B3	B1	B4	98.654	B3	B1	H5	127.954
B3	B1	H7	49.311	B3	B1	H8	117.221
B3	B2	B4	98.654	B3	B2	H6	127.954
B3	B2	H9	117.221	B3	B2	H10	49.311
B4	B1	H5	127.954	B4	B1	H7	117.221
B4	B1	H8	49.311	B4	B2	H6	127.954
B4	B2	H9	49.311	B4	B2	H10	117.221
H5	B1	H7	111.164	H5	B1	H8	111.164
H6	B2	H9	111.164	H6	B2	H10	111.164
H7	B1	H8	93.999	H7	B3	H10	137.734
H7	B3	H11	95.839	H7	B3	H12	104.678
H8	B4	H9	137.734	H8	B4	H13	95.839
H8	B4	H14	104.678	H9	B2	H10	93.999
H9	B4	H13	95.839	H9	B4	H14	104.678
H10	B3	H11	95.839	H10	B3	H12	104.678
H11	B3	H12	118.958	H13	B4	H14	118.958

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

using model chemistry: B3LYPultrafine/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>	91.521
(<r²>)^1/2	9.567

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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