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	hartrees
Energy at 0K	-105.192329
Energy at 298.15K	-105.203236
HF Energy	-105.192329
Nuclear repulsion energy	104.325624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2650	2620	74.72
2	A₁	2617	2588	39.65
3	A₁	2529	2500	54.64
4	A₁	2171	2146	4.08
5	A₁	1542	1525	4.16
6	A₁	1132	1119	5.51
7	A₁	951	940	5.81
8	A₁	839	829	2.19
9	A₁	790	781	0.35
10	A₁	650	643	0.87
11	A₁	585	578	0.63
12	A₁	200	198	8.75
13	A₂	2219	2194	0.00
14	A₂	1442	1425	0.00
15	A₂	1041	1029	0.00
16	A₂	993	982	0.00
17	A₂	897	887	0.00
18	A₂	694	686	0.00
19	A₂	410	405	0.00
20	B₁	2644	2614	31.39
21	B₁	2189	2164	7.09
22	B₁	1487	1470	26.83
23	B₁	1051	1039	9.79
24	B₁	967	956	29.60
25	B₁	886	876	13.38
26	B₁	718	709	2.58
27	B₁	578	571	11.62
28	B₂	2620	2590	88.10
29	B₂	2525	2497	69.65
30	B₂	2198	2172	77.78
31	B₂	1305	1290	8.59
32	B₂	1119	1106	22.96
33	B₂	904	894	23.97
34	B₂	859	849	6.13
35	B₂	561	555	6.88
36	B₂	349	345	1.62

Atom	x (Å)	y (Å)	z (Å)
B1	-0.859	0.000	-0.463
B2	0.859	0.000	-0.463
B3	0.000	1.397	0.384
B4	0.000	-1.397	0.384
H5	-1.382	0.000	-1.537
H6	1.382	0.000	-1.537
H7	-1.329	0.920	0.279
H8	-1.329	-0.920	0.279
H9	1.329	-0.920	0.279
H10	1.329	0.920	0.279
H11	0.000	1.432	1.591
H12	0.000	2.437	-0.216
H13	0.000	-1.432	1.591
H14	0.000	-2.437	-0.216

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7189	1.8459	1.8459	1.1945	2.4856	1.2719	1.2719	2.4874	2.4874	2.6475	2.5961	2.6475	2.5961
B2	1.7189		1.8459	1.8459	2.4856	1.1945	2.4874	2.4874	1.2719	1.2719	2.6475	2.5961	2.6475	2.5961
B3	1.8459	1.8459		2.7936	2.7482	2.7482	1.4160	2.6728	2.6728	1.4160	1.2078	1.2012	3.0754	3.8807
B4	1.8459	1.8459	2.7936		2.7482	2.7482	2.6728	1.4160	1.4160	2.6728	3.0754	3.8807	1.2078	1.2012
H5	1.1945	2.4856	2.7482	2.7482		2.7642	2.0368	2.0368	3.3906	3.3906	3.7079	3.0976	3.7079	3.0976
H6	2.4856	1.1945	2.7482	2.7482	2.7642		3.3906	3.3906	2.0368	2.0368	3.7079	3.0976	3.7079	3.0976
H7	1.2719	2.4874	1.4160	2.6728	2.0368	3.3906		1.8396	3.2327	2.6582	1.9365	2.0772	3.0029	3.6444
H8	1.2719	2.4874	2.6728	1.4160	2.0368	3.3906	1.8396		2.6582	3.2327	3.0029	3.6444	1.9365	2.0772
H9	2.4874	1.2719	2.6728	1.4160	3.3906	2.0368	3.2327	2.6582		1.8396	3.0029	3.6444	1.9365	2.0772
H10	2.4874	1.2719	1.4160	2.6728	3.3906	2.0368	2.6582	3.2327	1.8396		1.9365	2.0772	3.0029	3.6444
H11	2.6475	2.6475	1.2078	3.0754	3.7079	3.7079	1.9365	3.0029	3.0029	1.9365		2.0685	2.8634	4.2704
H12	2.5961	2.5961	1.2012	3.8807	3.0976	3.0976	2.0772	3.6444	3.6444	2.0772	2.0685		4.2704	4.8744
H13	2.6475	2.6475	3.0754	1.2078	3.7079	3.7079	3.0029	1.9365	1.9365	3.0029	2.8634	4.2704		2.0685
H14	2.5961	2.5961	3.8807	1.2012	3.0976	3.0976	3.6444	2.0772	2.0772	3.6444	4.2704	4.8744	2.0685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.251	B1	B2	B4	62.251
B1	B2	H6	115.946	B1	B2	H9	111.670
B1	B2	H10	111.670	B1	B3	B2	55.497
B1	B3	H7	43.458	B1	B3	H10	98.521
B1	B3	H11	118.728	B1	B3	H12	115.217
B1	B4	B2	55.497	B1	B4	H8	43.458
B1	B4	H9	98.521	B1	B4	H13	118.728
B1	B4	H14	115.217	B1	H7	B3	86.570
B1	H8	B4	86.570	B2	B1	B3	62.251
B2	B1	B4	62.251	B2	B1	H5	115.946
B2	B1	H7	111.670	B2	B1	H8	111.670
B2	B3	H7	98.521	B2	B3	H10	43.458
B2	B3	H11	118.728	B2	B3	H12	115.217
B2	B4	H8	98.521	B2	B4	H9	43.458
B2	B4	H13	118.728	B2	B4	H14	115.217
B2	H9	B4	86.570	B2	H10	B3	86.570
B3	B1	B4	98.347	B3	B1	H5	128.054
B3	B1	H7	49.972	B3	B1	H8	116.822
B3	B2	B4	98.347	B3	B2	H6	128.054
B3	B2	H9	116.822	B3	B2	H10	49.972
B4	B1	H5	128.054	B4	B1	H7	116.822
B4	B1	H8	49.972	B4	B2	H6	128.054
B4	B2	H9	49.972	B4	B2	H10	116.822
H5	B1	H7	111.304	H5	B1	H8	111.304
H6	B2	H9	111.304	H6	B2	H10	111.304
H7	B1	H8	92.629	H7	B3	H10	139.650
H7	B3	H11	94.801	H7	B3	H12	104.762
H8	B4	H9	139.650	H8	B4	H13	94.801
H8	B4	H14	104.762	H9	B2	H10	92.629
H9	B4	H13	94.801	H9	B4	H14	104.762
H10	B3	H11	94.801	H10	B3	H12	104.762
H11	B3	H12	118.327	H13	B4	H14	118.327

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

using model chemistry: PBEPBE/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	-0.110
2	B	-0.110
3	B	-0.296
4	B	-0.296
5	H	0.066
6	H	0.066
7	H	0.119
8	H	0.119
9	H	0.119
10	H	0.119
11	H	0.051
12	H	0.051
13	H	0.051
14	H	0.051

<r²>	91.125
(<r²>)^1/2	9.546

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

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

States and conformations

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