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	hartrees
Energy at 0K	-104.747435
Energy at 298.15K	-104.758379
HF Energy	-104.747435
Nuclear repulsion energy	105.891460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2642	2609	37.98
2	A₁	2605	2573	22.93
3	A₁	2507	2476	38.67
4	A₁	2153	2126	0.18
5	A₁	1562	1542	1.54
6	A₁	1107	1094	1.91
7	A₁	945	934	3.89
8	A₁	840	830	9.22
9	A₁	781	772	0.22
10	A₁	647	639	2.76
11	A₁	618	610	2.97
12	A₁	198	196	11.07
13	A₂	2208	2181	0.00
14	A₂	1487	1469	0.00
15	A₂	1022	1009	0.00
16	A₂	965	953	0.00
17	A₂	903	892	0.00
18	A₂	719	711	0.00
19	A₂	408	403	0.00
20	B₁	2637	2604	20.62
21	B₁	2182	2156	18.08
22	B₁	1505	1487	10.42
23	B₁	1023	1010	6.28
24	B₁	954	942	16.12
25	B₁	877	867	14.23
26	B₁	695	687	6.29
27	B₁	601	593	5.99
28	B₂	2608	2576	67.91
29	B₂	2507	2476	44.18
30	B₂	2180	2154	32.35
31	B₂	1333	1317	7.98
32	B₂	1095	1081	9.35
33	B₂	886	875	15.14
34	B₂	832	822	0.19
35	B₂	627	619	5.42
36	B₂	328	324	2.56

Atom	x (Å)	y (Å)	z (Å)
B1	-0.842	0.000	-0.464
B2	0.842	0.000	-0.464
B3	0.000	1.358	0.377
B4	0.000	-1.358	0.377
H5	-1.364	0.000	-1.534
H6	1.364	0.000	-1.534
H7	-1.320	0.909	0.283
H8	-1.320	-0.909	0.283
H9	1.320	-0.909	0.283
H10	1.320	0.909	0.283
H11	0.000	1.362	1.584
H12	0.000	2.416	-0.183
H13	0.000	-1.362	1.584
H14	0.000	-2.416	-0.183

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.6839	1.8056	1.8056	1.1908	2.4522	1.2703	1.2703	2.4615	2.4615	2.5994	2.5739	2.5994	2.5739
B2	1.6839		1.8056	1.8056	2.4522	1.1908	2.4615	2.4615	1.2703	1.2703	2.5994	2.5739	2.5994	2.5739
B3	1.8056	1.8056		2.7152	2.7127	2.7127	1.3972	2.6249	2.6249	1.3972	1.2064	1.1979	2.9748	3.8151
B4	1.8056	1.8056	2.7152		2.7127	2.7127	2.6249	1.3972	1.3972	2.6249	2.9748	3.8151	1.2064	1.1979
H5	1.1908	2.4522	2.7127	2.7127		2.7290	2.0326	2.0326	3.3668	3.3668	3.6657	3.0860	3.6657	3.0860
H6	2.4522	1.1908	2.7127	2.7127	2.7290		3.3668	3.3668	2.0326	2.0326	3.6657	3.0860	3.6657	3.0860
H7	1.2703	2.4615	1.3972	2.6249	2.0326	3.3668		1.8187	3.2057	2.6399	1.9075	2.0568	2.9311	3.6081
H8	1.2703	2.4615	2.6249	1.3972	2.0326	3.3668	1.8187		2.6399	3.2057	2.9311	3.6081	1.9075	2.0568
H9	2.4615	1.2703	2.6249	1.3972	3.3668	2.0326	3.2057	2.6399		1.8187	2.9311	3.6081	1.9075	2.0568
H10	2.4615	1.2703	1.3972	2.6249	3.3668	2.0326	2.6399	3.2057	1.8187		1.9075	2.0568	2.9311	3.6081
H11	2.5994	2.5994	1.2064	2.9748	3.6657	3.6657	1.9075	2.9311	2.9311	1.9075		2.0580	2.7233	4.1707
H12	2.5739	2.5739	1.1979	3.8151	3.0860	3.0860	2.0568	3.6081	3.6081	2.0568	2.0580		4.1707	4.8321
H13	2.5994	2.5994	2.9748	1.2064	3.6657	3.6657	2.9311	1.9075	1.9075	2.9311	2.7233	4.1707		2.0580
H14	2.5739	2.5739	3.8151	1.1979	3.0860	3.0860	3.6081	2.0568	2.0568	3.6081	4.1707	4.8321	2.0580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.205	B1	B2	B4	62.205
B1	B2	H6	116.029	B1	B2	H9	112.103
B1	B2	H10	112.103	B1	B3	B2	55.590
B1	B3	H7	44.503	B1	B3	H10	99.664
B1	B3	H11	117.940	B1	B3	H12	116.496
B1	B4	B2	55.590	B1	B4	H8	44.503
B1	B4	H9	99.664	B1	B4	H13	117.940
B1	B4	H14	116.496	B1	H7	B3	85.059
B1	H8	B4	85.059	B2	B1	B3	62.205
B2	B1	B4	62.205	B2	B1	H5	116.029
B2	B1	H7	112.103	B2	B1	H8	112.103
B2	B3	H7	99.664	B2	B3	H10	44.503
B2	B3	H11	117.940	B2	B3	H12	116.496
B2	B4	H8	99.664	B2	B4	H9	44.503
B2	B4	H13	117.940	B2	B4	H14	116.496
B2	H9	B4	85.059	B2	H10	B3	85.059
B3	B1	B4	97.511	B3	B1	H5	128.565
B3	B1	H7	50.438	B3	B1	H8	116.075
B3	B2	B4	97.511	B3	B2	H6	128.565
B3	B2	H9	116.075	B3	B2	H10	50.438
B4	B1	H5	128.565	B4	B1	H7	116.075
B4	B1	H8	50.438	B4	B2	H6	128.565
B4	B2	H9	50.438	B4	B2	H10	116.075
H5	B1	H7	111.312	H5	B1	H8	111.312
H6	B2	H9	111.312	H6	B2	H10	111.312
H7	B1	H8	91.422	H7	B3	H10	141.723
H7	B3	H11	93.928	H7	B3	H12	104.591
H8	B4	H9	141.723	H8	B4	H13	93.928
H8	B4	H14	104.591	H9	B2	H10	91.422
H9	B4	H13	93.928	H9	B4	H14	104.591
H10	B3	H11	93.928	H10	B3	H12	104.591
H11	B3	H12	117.731	H13	B4	H14	117.731

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	-0.274
2	B	-0.274
3	B	-0.440
4	B	-0.440
5	H	0.112
6	H	0.112
7	H	0.194
8	H	0.194
9	H	0.194
10	H	0.194
11	H	0.117
12	H	0.097
13	H	0.117
14	H	0.097

<r²>	88.668
(<r²>)^1/2	9.416

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))