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	hartrees
Energy at 0K	-104.733715
Energy at 298.15K	-104.744671
HF Energy	-104.733715
Nuclear repulsion energy	105.833859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2633	2590	44.70
2	A₁	2599	2557	24.21
3	A₁	2503	2462	39.37
4	A₁	2157	2122	0.25
5	A₁	1558	1533	2.30
6	A₁	1110	1092	2.19
7	A₁	954	939	4.65
8	A₁	850	836	8.71
9	A₁	786	774	0.18
10	A₁	654	644	2.51
11	A₁	621	610	2.34
12	A₁	202	199	10.63
13	A₂	2213	2177	0.00
14	A₂	1471	1447	0.00
15	A₂	1040	1023	0.00
16	A₂	967	952	0.00
17	A₂	908	893	0.00
18	A₂	720	708	0.00
19	A₂	406	399	0.00
20	B₁	2627	2584	21.83
21	B₁	2185	2149	16.84
22	B₁	1495	1470	11.68
23	B₁	1035	1018	4.84
24	B₁	972	957	17.42
25	B₁	885	871	11.73
26	B₁	705	693	5.51
27	B₁	603	594	6.84
28	B₂	2603	2560	70.40
29	B₂	2503	2462	47.14
30	B₂	2187	2151	36.29
31	B₂	1324	1303	7.58
32	B₂	1098	1080	10.01
33	B₂	885	871	15.62
34	B₂	840	826	0.74
35	B₂	628	618	5.54
36	B₂	330	325	2.54

Atom	x (Å)	y (Å)	z (Å)
B1	-0.842	0.000	-0.463
B2	0.842	0.000	-0.463
B3	0.000	1.358	0.377
B4	0.000	-1.358	0.377
H5	-1.366	0.000	-1.533
H6	1.366	0.000	-1.533
H7	-1.324	0.909	0.282
H8	-1.324	-0.909	0.282
H9	1.324	-0.909	0.282
H10	1.324	0.909	0.282
H11	0.000	1.367	1.584
H12	0.000	2.416	-0.187
H13	0.000	-1.367	1.584
H14	0.000	-2.416	-0.187

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.6834	1.8052	1.8052	1.1924	2.4541	1.2705	1.2705	2.4642	2.4642	2.6010	2.5732	2.6010	2.5732
B2	1.6834		1.8052	1.8052	2.4541	1.1924	2.4642	2.4642	1.2705	1.2705	2.6010	2.5732	2.6010	2.5732
B3	1.8052	1.8052		2.7169	2.7133	2.7133	1.4015	2.6275	2.6275	1.4015	1.2068	1.1989	2.9807	3.8165
B4	1.8052	1.8052	2.7169		2.7133	2.7133	2.6275	1.4015	1.4015	2.6275	2.9807	3.8165	1.2068	1.1989
H5	1.1924	2.4541	2.7133	2.7133		2.7328	2.0311	2.0311	3.3709	3.3709	3.6678	3.0848	3.6678	3.0848
H6	2.4541	1.1924	2.7133	2.7133	2.7328		3.3709	3.3709	2.0311	2.0311	3.6678	3.0848	3.6678	3.0848
H7	1.2705	2.4642	1.4015	2.6275	2.0311	3.3709		1.8181	3.2123	2.6483	1.9122	2.0604	2.9373	3.6098
H8	1.2705	2.4642	2.6275	1.4015	2.0311	3.3709	1.8181		2.6483	3.2123	2.9373	3.6098	1.9122	2.0604
H9	2.4642	1.2705	2.6275	1.4015	3.3709	2.0311	3.2123	2.6483		1.8181	2.9373	3.6098	1.9122	2.0604
H10	2.4642	1.2705	1.4015	2.6275	3.3709	2.0311	2.6483	3.2123	1.8181		1.9122	2.0604	2.9373	3.6098
H11	2.6010	2.6010	1.2068	2.9807	3.6678	3.6678	1.9122	2.9373	2.9373	1.9122		2.0586	2.7341	4.1772
H12	2.5732	2.5732	1.1989	3.8165	3.0848	3.0848	2.0604	3.6098	3.6098	2.0604	2.0586		4.1772	4.8321
H13	2.6010	2.6010	2.9807	1.2068	3.6678	3.6678	2.9373	1.9122	1.9122	2.9373	2.7341	4.1772		2.0586
H14	2.5732	2.5732	3.8165	1.1989	3.0848	3.0848	3.6098	2.0604	2.0604	3.6098	4.1772	4.8321	2.0586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.208	B1	B2	B4	62.208
B1	B2	H6	116.106	B1	B2	H9	112.316
B1	B2	H10	112.316	B1	B3	B2	55.584
B1	B3	H7	44.505	B1	B3	H10	99.663
B1	B3	H11	118.067	B1	B3	H12	116.415
B1	B4	B2	55.584	B1	B4	H8	44.505
B1	B4	H9	99.663	B1	B4	H13	118.067
B1	B4	H14	116.415	B1	H7	B3	84.850
B1	H8	B4	84.850	B2	B1	B3	62.208
B2	B1	B4	62.208	B2	B1	H5	116.106
B2	B1	H7	112.316	B2	B1	H8	112.316
B2	B3	H7	99.663	B2	B3	H10	44.505
B2	B3	H11	118.067	B2	B3	H12	116.415
B2	B4	H8	99.663	B2	B4	H9	44.505
B2	B4	H13	118.067	B2	B4	H14	116.415
B2	H9	B4	84.850	B2	H10	B3	84.850
B3	B1	B4	97.615	B3	B1	H5	128.524
B3	B1	H7	50.645	B3	B1	H8	116.277
B3	B2	B4	97.615	B3	B2	H6	128.524
B3	B2	H9	116.277	B3	B2	H10	50.645
B4	B1	H5	128.524	B4	B1	H7	116.277
B4	B1	H8	50.645	B4	B2	H6	128.524
B4	B2	H9	50.645	B4	B2	H10	116.277
H5	B1	H7	111.069	H5	B1	H8	111.069
H6	B2	H9	111.069	H6	B2	H10	111.069
H7	B1	H8	91.368	H7	B3	H10	141.747
H7	B3	H11	94.002	H7	B3	H12	104.542
H8	B4	H9	141.747	H8	B4	H13	94.002
H8	B4	H14	104.542	H9	B2	H10	91.368
H9	B4	H13	94.002	H9	B4	H14	104.542
H10	B3	H11	94.002	H10	B3	H12	104.542
H11	B3	H12	117.679	H13	B4	H14	117.679

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

using model chemistry: LSDA/6-311G*

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	-0.474
2	B	-0.474
3	B	-0.652
4	B	-0.652
5	H	0.181
6	H	0.181
7	H	0.291
8	H	0.291
9	H	0.291
10	H	0.291
11	H	0.198
12	H	0.165
13	H	0.198
14	H	0.165

<r²>	88.811
(<r²>)^1/2	9.424

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

using model chemistry: LSDA/6-311G*

States and conformations

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