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	hartrees
Energy at 0K	-105.297025
Energy at 298.15K	-105.308096
HF Energy	-105.297025
Nuclear repulsion energy	105.048130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2738	2599	80.34
2	A₁	2713	2576	35.31
3	A₁	2623	2490	44.56
4	A₁	2279	2164	10.80
5	A₁	1615	1533	7.74
6	A₁	1180	1120	8.00
7	A₁	1008	957	3.67
8	A₁	873	829	0.29
9	A₁	817	775	0.70
10	A₁	685	651	0.03
11	A₁	599	568	0.22
12	A₁	221	210	7.06
13	A₂	2319	2202	0.00
14	A₂	1510	1434	0.00
15	A₂	1102	1046	0.00
16	A₂	1036	984	0.00
17	A₂	926	879	0.00
18	A₂	708	672	0.00
19	A₂	405	385	0.00
20	B₁	2731	2592	27.51
21	B₁	2285	2169	8.82
22	B₁	1564	1484	46.30
23	B₁	1115	1058	6.01
24	B₁	1030	978	46.96
25	B₁	920	874	12.33
26	B₁	750	712	1.29
27	B₁	604	574	16.61
28	B₂	2715	2577	78.03
29	B₂	2620	2487	67.95
30	B₂	2305	2188	102.29
31	B₂	1372	1302	3.47
32	B₂	1163	1104	31.98
33	B₂	939	891	17.37
34	B₂	890	845	19.04
35	B₂	550	522	7.51
36	B₂	349	331	3.99

Atom	x (Å)	y (Å)	z (Å)
B1	-0.857	0.000	-0.473
B2	0.857	0.000	-0.473
B3	0.000	1.375	0.397
B4	0.000	-1.375	0.397
H5	-1.363	0.000	-1.544
H6	1.363	0.000	-1.544
H7	-1.325	0.917	0.249
H8	-1.325	-0.917	0.249
H9	1.325	-0.917	0.249
H10	1.325	0.917	0.249
H11	0.000	1.364	1.593
H12	0.000	2.423	-0.169
H13	0.000	-1.364	1.593
H14	0.000	-2.423	-0.169

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7136	1.8389	1.8389	1.1849	2.4646	1.2574	1.2574	2.4745	2.4745	2.6199	2.5877	2.6199	2.5877
B2	1.7136		1.8389	1.8389	2.4646	1.1849	2.4745	2.4745	1.2574	1.2574	2.6199	2.5877	2.6199	2.5877
B3	1.8389	1.8389		2.7502	2.7416	2.7416	1.4100	2.6521	2.6521	1.4100	1.1962	1.1911	2.9892	3.8400
B4	1.8389	1.8389	2.7502		2.7416	2.7416	2.6521	1.4100	1.4100	2.6521	2.9892	3.8400	1.1962	1.1911
H5	1.1849	2.4646	2.7416	2.7416		2.7256	2.0140	2.0140	3.3587	3.3587	3.6826	3.1011	3.6826	3.1011
H6	2.4646	1.1849	2.7416	2.7416	2.7256		3.3587	3.3587	2.0140	2.0140	3.6826	3.1011	3.6826	3.1011
H7	1.2574	2.4745	1.4100	2.6521	2.0140	3.3587		1.8345	3.2236	2.6507	1.9403	2.0489	2.9615	3.6177
H8	1.2574	2.4745	2.6521	1.4100	2.0140	3.3587	1.8345		2.6507	3.2236	2.9615	3.6177	1.9403	2.0489
H9	2.4745	1.2574	2.6521	1.4100	3.3587	2.0140	3.2236	2.6507		1.8345	2.9615	3.6177	1.9403	2.0489
H10	2.4745	1.2574	1.4100	2.6521	3.3587	2.0140	2.6507	3.2236	1.8345		1.9403	2.0489	2.9615	3.6177
H11	2.6199	2.6199	1.1962	2.9892	3.6826	3.6826	1.9403	2.9615	2.9615	1.9403		2.0562	2.7287	4.1774
H12	2.5877	2.5877	1.1911	3.8400	3.1011	3.1011	2.0489	3.6177	3.6177	2.0489	2.0562		4.1774	4.8457
H13	2.6199	2.6199	2.9892	1.1962	3.6826	3.6826	2.9615	1.9403	1.9403	2.9615	2.7287	4.1774		2.0562
H14	2.5877	2.5877	3.8400	1.1911	3.1011	3.1011	3.6177	2.0489	2.0489	3.6177	4.1774	4.8457	2.0562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.231	B1	B2	B4	62.231
B1	B2	H6	115.283	B1	B2	H9	111.878
B1	B2	H10	111.878	B1	B3	B2	55.539
B1	B3	H7	43.064	B1	B3	H10	98.352
B1	B3	H11	117.793	B1	B3	H12	115.642
B1	B4	B2	55.539	B1	B4	H8	43.064
B1	B4	H9	98.352	B1	B4	H13	117.793
B1	B4	H14	115.642	B1	H7	B3	86.966
B1	H8	B4	86.966	B2	B1	B3	62.231
B2	B1	B4	62.231	B2	B1	H5	115.283
B2	B1	H7	111.878	B2	B1	H8	111.878
B2	B3	H7	98.352	B2	B3	H10	43.064
B2	B3	H11	117.793	B2	B3	H12	115.642
B2	B4	H8	98.352	B2	B4	H9	43.064
B2	B4	H13	117.793	B2	B4	H14	115.642
B2	H9	B4	86.966	B2	H10	B3	86.966
B3	B1	B4	96.797	B3	B1	H5	128.807
B3	B1	H7	49.970	B3	B1	H8	116.603
B3	B2	B4	96.797	B3	B2	H6	128.807
B3	B2	H9	116.603	B3	B2	H10	49.970
B4	B1	H5	128.807	B4	B1	H7	116.603
B4	B1	H8	49.970	B4	B2	H6	128.807
B4	B2	H9	49.970	B4	B2	H10	116.603
H5	B1	H7	111.069	H5	B1	H8	111.069
H6	B2	H9	111.069	H6	B2	H10	111.069
H7	B1	H8	93.687	H7	B3	H10	140.078
H7	B3	H11	95.882	H7	B3	H12	103.619
H8	B4	H9	140.078	H8	B4	H13	95.882
H8	B4	H14	103.619	H9	B2	H10	93.687
H9	B4	H13	95.882	H9	B4	H14	103.619
H10	B3	H11	95.882	H10	B3	H12	103.619
H11	B3	H12	118.920	H13	B4	H14	118.920

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

using model chemistry: B1B95/6-31G*

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	-0.223
2	B	-0.223
3	B	-0.244
4	B	-0.244
5	H	0.074
6	H	0.074
7	H	0.152
8	H	0.152
9	H	0.152
10	H	0.152
11	H	0.046
12	H	0.045
13	H	0.046
14	H	0.045

<r²>	89.397
(<r²>)^1/2	9.455

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

using model chemistry: B1B95/6-31G*

States and conformations

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