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	hartrees
Energy at 0K	-105.219709
Energy at 298.15K	-105.230774
HF Energy	-105.219709
Nuclear repulsion energy	104.766263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2730	2595	76.51
2	A₁	2704	2570	35.36
3	A₁	2614	2484	45.05
4	A₁	2264	2151	7.90
5	A₁	1604	1525	7.12
6	A₁	1176	1118	7.31
7	A₁	1003	953	4.87
8	A₁	871	827	0.73
9	A₁	817	776	0.61
10	A₁	683	649	0.14
11	A₁	599	569	0.34
12	A₁	209	199	8.01
13	A₂	2306	2191	0.00
14	A₂	1501	1426	0.00
15	A₂	1095	1040	0.00
16	A₂	1036	984	0.00
17	A₂	929	883	0.00
18	A₂	709	674	0.00
19	A₂	415	395	0.00
20	B₁	2723	2588	27.35
21	B₁	2273	2160	9.73
22	B₁	1554	1477	41.80
23	B₁	1106	1051	8.64
24	B₁	1023	972	42.67
25	B₁	921	875	13.12
26	B₁	754	717	1.70
27	B₁	599	569	16.77
28	B₂	2706	2572	74.23
29	B₂	2610	2481	67.94
30	B₂	2290	2176	95.99
31	B₂	1355	1287	4.55
32	B₂	1162	1104	30.04
33	B₂	941	894	18.99
34	B₂	892	848	17.43
35	B₂	555	527	7.24
36	B₂	355	338	2.79

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.465
B2	0.858	0.000	-0.465
B3	0.000	1.387	0.389
B4	0.000	-1.387	0.389
H5	-1.370	0.000	-1.537
H6	1.370	0.000	-1.537
H7	-1.327	0.916	0.264
H8	-1.327	-0.916	0.264
H9	1.327	-0.916	0.264
H10	1.327	0.916	0.264
H11	0.000	1.408	1.589
H12	0.000	2.426	-0.201
H13	0.000	-1.408	1.589
H14	0.000	-2.426	-0.201

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7155	1.8409	1.8409	1.1886	2.4727	1.2614	1.2614	2.4785	2.4785	2.6336	2.5867	2.6336	2.5867
B2	1.7155		1.8409	1.8409	2.4727	1.1886	2.4785	2.4785	1.2614	1.2614	2.6336	2.5867	2.6336	2.5867
B3	1.8409	1.8409		2.7745	2.7408	2.7408	1.4133	2.6614	2.6614	1.4133	1.2002	1.1948	3.0420	3.8588
B4	1.8409	1.8409	2.7745		2.7408	2.7408	2.6614	1.4133	1.4133	2.6614	3.0420	3.8588	1.2002	1.1948
H5	1.1886	2.4727	2.7408	2.7408		2.7406	2.0215	2.0215	3.3702	3.3702	3.6923	3.0901	3.6923	3.0901
H6	2.4727	1.1886	2.7408	2.7408	2.7406		3.3702	3.3702	2.0215	2.0215	3.6923	3.0901	3.6923	3.0901
H7	1.2614	2.4785	1.4133	2.6614	2.0215	3.3702		1.8330	3.2250	2.6535	1.9383	2.0629	2.9864	3.6262
H8	1.2614	2.4785	2.6614	1.4133	2.0215	3.3702	1.8330		2.6535	3.2250	2.9864	3.6262	1.9383	2.0629
H9	2.4785	1.2614	2.6614	1.4133	3.3702	2.0215	3.2250	2.6535		1.8330	2.9864	3.6262	1.9383	2.0629
H10	2.4785	1.2614	1.4133	2.6614	3.3702	2.0215	2.6535	3.2250	1.8330		1.9383	2.0629	2.9864	3.6262
H11	2.6336	2.6336	1.2002	3.0420	3.6923	3.6923	1.9383	2.9864	2.9864	1.9383		2.0594	2.8160	4.2314
H12	2.5867	2.5867	1.1948	3.8588	3.0901	3.0901	2.0629	3.6262	3.6262	2.0629	2.0594		4.2314	4.8522
H13	2.6336	2.6336	3.0420	1.2002	3.6923	3.6923	2.9864	1.9383	1.9383	2.9864	2.8160	4.2314		2.0594
H14	2.5867	2.5867	3.8588	1.1948	3.0901	3.0901	3.6262	2.0629	2.0629	3.6262	4.2314	4.8522	2.0594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.230	B1	B2	B4	62.230
B1	B2	H6	115.546	B1	B2	H9	111.827
B1	B2	H10	111.827	B1	B3	B2	55.541
B1	B3	H7	43.167	B1	B3	H10	98.361
B1	B3	H11	118.471	B1	B3	H12	115.227
B1	B4	B2	55.541	B1	B4	H8	43.167
B1	B4	H9	98.361	B1	B4	H13	118.471
B1	B4	H14	115.227	B1	H7	B3	86.791
B1	H8	B4	86.791	B2	B1	B3	62.230
B2	B1	B4	62.230	B2	B1	H5	115.546
B2	B1	H7	111.827	B2	B1	H8	111.827
B2	B3	H7	98.361	B2	B3	H10	43.167
B2	B3	H11	118.471	B2	B3	H12	115.227
B2	B4	H8	98.361	B2	B4	H9	43.167
B2	B4	H13	118.471	B2	B4	H14	115.227
B2	H9	B4	86.791	B2	H10	B3	86.791
B3	B1	B4	97.800	B3	B1	H5	128.267
B3	B1	H7	50.042	B3	B1	H8	116.922
B3	B2	B4	97.800	B3	B2	H6	128.267
B3	B2	H9	116.922	B3	B2	H10	50.042
B4	B1	H5	128.267	B4	B1	H7	116.922
B4	B1	H8	50.042	B4	B2	H6	128.267
B4	B2	H9	50.042	B4	B2	H10	116.922
H5	B1	H7	111.162	H5	B1	H8	111.162
H6	B2	H9	111.162	H6	B2	H10	111.162
H7	B1	H8	93.197	H7	B3	H10	139.683
H7	B3	H11	95.399	H7	B3	H12	104.242
H8	B4	H9	139.683	H8	B4	H13	95.399
H8	B4	H14	104.242	H9	B2	H10	93.197
H9	B4	H13	95.399	H9	B4	H14	104.242
H10	B3	H11	95.399	H10	B3	H12	104.242
H11	B3	H12	118.605	H13	B4	H14	118.605

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

using model chemistry: PBE1PBE/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	-0.236
2	B	-0.236
3	B	-0.264
4	B	-0.264
5	H	0.080
6	H	0.080
7	H	0.159
8	H	0.159
9	H	0.159
10	H	0.159
11	H	0.052
12	H	0.051
13	H	0.052
14	H	0.051

<r²>	89.989
(<r²>)^1/2	9.486

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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