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	hartrees
Energy at 0K	-105.273653
Energy at 298.15K	-105.284741
HF Energy	-105.098144
Nuclear repulsion energy	104.758460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2723	2613	85.76
2	A₁	2699	2589	36.83
3	A₁	2611	2505	50.23
4	A₁	2253	2162	12.79
5	A₁	1587	1523	7.78
6	A₁	1194	1146	9.83
7	A₁	1009	968	4.25
8	A₁	862	827	0.00
9	A₁	808	775	1.06
10	A₁	684	656	0.01
11	A₁	573	549	0.05
12	A₁	218	209	7.66
13	A₂	2286	2194	0.00
14	A₂	1486	1426	0.00
15	A₂	1091	1047	0.00
16	A₂	1043	1001	0.00
17	A₂	924	886	0.00
18	A₂	688	660	0.00
19	A₂	421	404	0.00
20	B₁	2715	2605	31.99
21	B₁	2259	2167	13.34
22	B₁	1544	1482	40.78
23	B₁	1107	1062	18.01
24	B₁	1016	975	52.53
25	B₁	927	889	13.80
26	B₁	768	736	1.04
27	B₁	579	555	18.12
28	B₂	2700	2590	77.76
29	B₂	2607	2501	74.36
30	B₂	2272	2179	119.13
31	B₂	1343	1289	5.35
32	B₂	1178	1130	38.41
33	B₂	951	912	22.42
34	B₂	892	856	29.51
35	B₂	495	475	10.72
36	B₂	364	349	2.18

Atom	x (Å)	y (Å)	z (Å)
B1	-0.860	0.000	-0.462
B2	0.860	0.000	-0.462
B3	0.000	1.402	0.389
B4	0.000	-1.402	0.389
H5	-1.364	0.000	-1.527
H6	1.364	0.000	-1.527
H7	-1.316	0.913	0.263
H8	-1.316	-0.913	0.263
H9	1.316	-0.913	0.263
H10	1.316	0.913	0.263
H11	0.000	1.430	1.579
H12	0.000	2.423	-0.211
H13	0.000	-1.430	1.579
H14	0.000	-2.423	-0.211

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7194	1.8518	1.8518	1.1786	2.4658	1.2523	1.2523	2.4685	2.4685	2.6360	2.5830	2.6360	2.5830
B2	1.7194		1.8518	1.8518	2.4658	1.1786	2.4685	2.4685	1.2523	1.2523	2.6360	2.5830	2.6360	2.5830
B3	1.8518	1.8518		2.8037	2.7385	2.7385	1.4093	2.6661	2.6661	1.4093	1.1897	1.1843	3.0714	3.8714
B4	1.8518	1.8518	2.8037		2.7385	2.7385	2.6661	1.4093	1.4093	2.6661	3.0714	3.8714	1.1897	1.1843
H5	1.1786	2.4658	2.7385	2.7385		2.7284	2.0104	2.0104	3.3500	3.3500	3.6814	3.0763	3.6814	3.0763
H6	2.4658	1.1786	2.7385	2.7385	2.7284		3.3500	3.3500	2.0104	2.0104	3.6814	3.0763	3.6814	3.0763
H7	1.2523	2.4685	1.4093	2.6661	2.0104	3.3500		1.8269	3.2037	2.6318	1.9312	2.0577	2.9923	3.6175
H8	1.2523	2.4685	2.6661	1.4093	2.0104	3.3500	1.8269		2.6318	3.2037	2.9923	3.6175	1.9312	2.0577
H9	2.4685	1.2523	2.6661	1.4093	3.3500	2.0104	3.2037	2.6318		1.8269	2.9923	3.6175	1.9312	2.0577
H10	2.4685	1.2523	1.4093	2.6661	3.3500	2.0104	2.6318	3.2037	1.8269		1.9312	2.0577	2.9923	3.6175
H11	2.6360	2.6360	1.1897	3.0714	3.6814	3.6814	1.9312	2.9923	2.9923	1.9312		2.0466	2.8598	4.2480
H12	2.5830	2.5830	1.1843	3.8714	3.0763	3.0763	2.0577	3.6175	3.6175	2.0577	2.0466		4.2480	4.8455
H13	2.6360	2.6360	3.0714	1.1897	3.6814	3.6814	2.9923	1.9312	1.9312	2.9923	2.8598	4.2480		2.0466
H14	2.5830	2.5830	3.8714	1.1843	3.0763	3.0763	3.6175	2.0577	2.0577	3.6175	4.2480	4.8455	2.0466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.339	B1	B2	B4	62.339
B1	B2	H6	115.345	B1	B2	H9	111.364
B1	B2	H10	111.364	B1	B3	B2	55.323
B1	B3	H7	42.520	B1	B3	H10	97.465
B1	B3	H11	118.523	B1	B3	H12	114.806
B1	B4	B2	55.323	B1	B4	H8	42.520
B1	B4	H9	97.465	B1	B4	H13	118.523
B1	B4	H14	114.806	B1	H7	B3	87.967
B1	H8	B4	87.967	B2	B1	B3	62.339
B2	B1	B4	62.339	B2	B1	H5	115.345
B2	B1	H7	111.364	B2	B1	H8	111.364
B2	B3	H7	97.465	B2	B3	H10	42.520
B2	B3	H11	118.523	B2	B3	H12	114.806
B2	B4	H8	97.465	B2	B4	H9	42.520
B2	B4	H13	118.523	B2	B4	H14	114.806
B2	H9	B4	87.967	B2	H10	B3	87.967
B3	B1	B4	98.404	B3	B1	H5	127.898
B3	B1	H7	49.514	B3	B1	H8	117.070
B3	B2	B4	98.404	B3	B2	H6	127.898
B3	B2	H9	117.070	B3	B2	H10	49.514
B4	B1	H5	127.898	B4	B1	H7	117.070
B4	B1	H8	49.514	B4	B2	H6	127.898
B4	B2	H9	49.514	B4	B2	H10	117.070
H5	B1	H7	111.551	H5	B1	H8	111.551
H6	B2	H9	111.551	H6	B2	H10	111.551
H7	B1	H8	93.673	H7	B3	H10	138.050
H7	B3	H11	95.612	H7	B3	H12	104.674
H8	B4	H9	138.050	H8	B4	H13	95.612
H8	B4	H14	104.674	H9	B2	H10	93.673
H9	B4	H13	95.612	H9	B4	H14	104.674
H10	B3	H11	95.612	H10	B3	H12	104.674
H11	B3	H12	119.101	H13	B4	H14	119.101

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

using model chemistry: B2PLYP/cc-pVTZ

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	-0.210
2	B	-0.210
3	B	-0.281
4	B	-0.281
5	H	0.073
6	H	0.073
7	H	0.129
8	H	0.129
9	H	0.129
10	H	0.129
11	H	0.094
12	H	0.067
13	H	0.094
14	H	0.067

<r²>	90.780
(<r²>)^1/2	9.528

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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