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	hartrees
Energy at 0K	-105.310288
Energy at 298.15K	-105.321150
HF Energy	-105.310288
Nuclear repulsion energy	104.033250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2639	2630	92.29
2	A₁	2619	2610	30.38
3	A₁	2536	2527	51.33
4	A₁	2163	2156	10.64
5	A₁	1523	1518	5.46
6	A₁	1154	1150	8.66
7	A₁	970	967	5.99
8	A₁	835	832	0.00
9	A₁	783	780	1.02
10	A₁	659	656	0.13
11	A₁	542	540	0.10
12	A₁	214	213	7.91
13	A₂	2190	2182	0.00
14	A₂	1405	1400	0.00
15	A₂	1052	1048	0.00
16	A₂	1007	1004	0.00
17	A₂	884	881	0.00
18	A₂	659	657	0.00
19	A₂	411	409	0.00
20	B₁	2632	2623	32.27
21	B₁	2174	2167	7.97
22	B₁	1474	1469	28.84
23	B₁	1069	1065	15.40
24	B₁	978	975	44.76
25	B₁	893	890	13.48
26	B₁	742	739	1.00
27	B₁	549	547	15.78
28	B₂	2621	2612	79.06
29	B₂	2532	2523	72.98
30	B₂	2174	2167	109.46
31	B₂	1286	1282	10.53
32	B₂	1135	1131	30.56
33	B₂	916	913	21.46
34	B₂	863	860	26.12
35	B₂	461	459	9.09
36	B₂	354	353	0.84

Atom	x (Å)	y (Å)	z (Å)
B1	-0.862	0.000	-0.462
B2	0.862	0.000	-0.462
B3	0.000	1.420	0.389
B4	0.000	-1.420	0.389
H5	-1.380	0.000	-1.528
H6	1.380	0.000	-1.528
H7	-1.320	0.922	0.268
H8	-1.320	-0.922	0.268
H9	1.320	-0.922	0.268
H10	1.320	0.922	0.268
H11	0.000	1.466	1.584
H12	0.000	2.440	-0.225
H13	0.000	-1.466	1.584
H14	0.000	-2.440	-0.225

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7231	1.8659	1.8659	1.1855	2.4821	1.2622	1.2622	2.4784	2.4784	2.6601	2.5981	2.6601	2.5981
B2	1.7231		1.8659	1.8659	2.4821	1.1855	2.4784	2.4784	1.2622	1.2622	2.6601	2.5981	2.6601	2.5981
B3	1.8659	1.8659		2.8400	2.7556	2.7556	1.4160	2.6914	2.6914	1.4160	1.1960	1.1903	3.1239	3.9082
B4	1.8659	1.8659	2.8400		2.7556	2.7556	2.6914	1.4160	1.4160	2.6914	3.1239	3.9082	1.1960	1.1903
H5	1.1855	2.4821	2.7556	2.7556		2.7598	2.0196	2.0196	3.3713	3.3713	3.7062	3.0908	3.7062	3.0908
H6	2.4821	1.1855	2.7556	2.7556	2.7598		3.3713	3.3713	2.0196	2.0196	3.7062	3.0908	3.7062	3.0908
H7	1.2622	2.4784	1.4160	2.6914	2.0196	3.3713		1.8445	3.2207	2.6402	1.9417	2.0709	3.0297	3.6454
H8	1.2622	2.4784	2.6914	1.4160	2.0196	3.3713	1.8445		2.6402	3.2207	3.0297	3.6454	1.9417	2.0709
H9	2.4784	1.2622	2.6914	1.4160	3.3713	2.0196	3.2207	2.6402		1.8445	3.0297	3.6454	1.9417	2.0709
H10	2.4784	1.2622	1.4160	2.6914	3.3713	2.0196	2.6402	3.2207	1.8445		1.9417	2.0709	3.0297	3.6454
H11	2.6601	2.6601	1.1960	3.1239	3.7062	3.7062	1.9417	3.0297	3.0297	1.9417		2.0544	2.9325	4.3046
H12	2.5981	2.5981	1.1903	3.9082	3.0908	3.0908	2.0709	3.6454	3.6454	2.0709	2.0544		4.3046	4.8794
H13	2.6601	2.6601	3.1239	1.1960	3.7062	3.7062	3.0297	1.9417	1.9417	3.0297	2.9325	4.3046		2.0544
H14	2.5981	2.5981	3.9082	1.1903	3.0908	3.0908	3.6454	2.0709	2.0709	3.6454	4.3046	4.8794	2.0544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.502	B1	B2	B4	62.502
B1	B2	H6	115.928	B1	B2	H9	111.304
B1	B2	H10	111.304	B1	B3	B2	54.996
B1	B3	H7	42.538	B1	B3	H10	97.127
B1	B3	H11	118.999	B1	B3	H12	114.637
B1	B4	B2	54.996	B1	B4	H8	42.538
B1	B4	H9	97.127	B1	B4	H13	118.999
B1	B4	H14	114.637	B1	H7	B3	88.133
B1	H8	B4	88.133	B2	B1	B3	62.502
B2	B1	B4	62.502	B2	B1	H5	115.928
B2	B1	H7	111.304	B2	B1	H8	111.304
B2	B3	H7	97.127	B2	B3	H10	42.538
B2	B3	H11	118.999	B2	B3	H12	114.637
B2	B4	H8	97.127	B2	B4	H9	42.538
B2	B4	H13	118.999	B2	B4	H14	114.637
B2	H9	B4	88.133	B2	H10	B3	88.133
B3	B1	B4	99.108	B3	B1	H5	127.714
B3	B1	H7	49.329	B3	B1	H8	117.412
B3	B2	B4	99.108	B3	B2	H6	127.714
B3	B2	H9	117.412	B3	B2	H10	49.329
B4	B1	H5	127.714	B4	B1	H7	117.412
B4	B1	H8	49.329	B4	B2	H6	127.714
B4	B2	H9	49.329	B4	B2	H10	117.412
H5	B1	H7	111.161	H5	B1	H8	111.161
H6	B2	H9	111.161	H6	B2	H10	111.161
H7	B1	H8	93.885	H7	B3	H10	137.588
H7	B3	H11	95.670	H7	B3	H12	104.902
H8	B4	H9	137.588	H8	B4	H13	95.670
H8	B4	H14	104.902	H9	B2	H10	93.885
H9	B4	H13	95.670	H9	B4	H14	104.902
H10	B3	H11	95.670	H10	B3	H12	104.902
H11	B3	H12	118.839	H13	B4	H14	118.839

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

using model chemistry: BLYP/aug-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	0.035
2	B	0.035
3	B	0.049
4	B	0.049
5	H	-0.082
6	H	-0.082
7	H	0.046
8	H	0.046
9	H	0.046
10	H	0.046
11	H	-0.069
12	H	-0.026
13	H	-0.069
14	H	-0.026

<r²>	92.080
(<r²>)^1/2	9.596

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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