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	hartrees
Energy at 0K	-105.188072
Energy at 298.15K	-105.199006
HF Energy	-105.188072
Nuclear repulsion energy	104.339729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2660	2624	64.59
2	A₁	2630	2594	33.55
3	A₁	2539	2504	44.70
4	A₁	2174	2145	3.97
5	A₁	1538	1517	3.24
6	A₁	1141	1125	5.04
7	A₁	956	943	6.23
8	A₁	838	827	2.17
9	A₁	793	782	0.49
10	A₁	655	646	0.77
11	A₁	582	574	0.68
12	A₁	216	213	8.90
13	A₂	2220	2190	0.00
14	A₂	1434	1415	0.00
15	A₂	1044	1030	0.00
16	A₂	998	984	0.00
17	A₂	896	884	0.00
18	A₂	695	685	0.00
19	A₂	415	409	0.00
20	B₁	2654	2618	24.68
21	B₁	2192	2162	6.34
22	B₁	1482	1461	28.42
23	B₁	1054	1040	9.36
24	B₁	971	958	33.85
25	B₁	892	879	13.51
26	B₁	718	708	2.80
27	B₁	582	574	11.59
28	B₂	2632	2596	72.22
29	B₂	2536	2501	61.54
30	B₂	2200	2170	72.41
31	B₂	1300	1282	9.45
32	B₂	1123	1108	20.54
33	B₂	906	893	20.64
34	B₂	856	845	4.88
35	B₂	550	543	6.62
36	B₂	357	352	1.64

Atom	x (Å)	y (Å)	z (Å)
B1	-0.860	0.000	-0.464
B2	0.860	0.000	-0.464
B3	0.000	1.396	0.385
B4	0.000	-1.396	0.385
H5	-1.382	0.000	-1.538
H6	1.382	0.000	-1.538
H7	-1.330	0.920	0.278
H8	-1.330	-0.920	0.278
H9	1.330	-0.920	0.278
H10	1.330	0.920	0.278
H11	0.000	1.427	1.591
H12	0.000	2.437	-0.213
H13	0.000	-1.427	1.591
H14	0.000	-2.437	-0.213

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7191	1.8461	1.8461	1.1939	2.4852	1.2718	1.2718	2.4878	2.4878	2.6462	2.5961	2.6462	2.5961
B2	1.7191		1.8461	1.8461	2.4852	1.1939	2.4878	2.4878	1.2718	1.2718	2.6462	2.5961	2.6462	2.5961
B3	1.8461	1.8461		2.7915	2.7486	2.7486	1.4165	2.6721	2.6721	1.4165	1.2069	1.2005	3.0701	3.8789
B4	1.8461	1.8461	2.7915		2.7486	2.7486	2.6721	1.4165	1.4165	2.6721	3.0701	3.8789	1.2069	1.2005
H5	1.1939	2.4852	2.7486	2.7486		2.7637	2.0361	2.0361	3.3905	3.3905	3.7067	3.0988	3.7067	3.0988
H6	2.4852	1.1939	2.7486	2.7486	2.7637		3.3905	3.3905	2.0361	2.0361	3.7067	3.0988	3.7067	3.0988
H7	1.2718	2.4878	1.4165	2.6721	2.0361	3.3905		1.8390	3.2333	2.6594	1.9368	2.0763	3.0002	3.6433
H8	1.2718	2.4878	2.6721	1.4165	2.0361	3.3905	1.8390		2.6594	3.2333	3.0002	3.6433	1.9368	2.0763
H9	2.4878	1.2718	2.6721	1.4165	3.3905	2.0361	3.2333	2.6594		1.8390	3.0002	3.6433	1.9368	2.0763
H10	2.4878	1.2718	1.4165	2.6721	3.3905	2.0361	2.6594	3.2333	1.8390		1.9368	2.0763	3.0002	3.6433
H11	2.6462	2.6462	1.2069	3.0701	3.7067	3.7067	1.9368	3.0002	3.0002	1.9368		2.0675	2.8548	4.2647
H12	2.5961	2.5961	1.2005	3.8789	3.0988	3.0988	2.0763	3.6433	3.6433	2.0763	2.0675		4.2647	4.8735
H13	2.6462	2.6462	3.0701	1.2069	3.7067	3.7067	3.0002	1.9368	1.9368	3.0002	2.8548	4.2647		2.0675
H14	2.5961	2.5961	3.8789	1.2005	3.0988	3.0988	3.6433	2.0763	2.0763	3.6433	4.2647	4.8735	2.0675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.251	B1	B2	B4	62.251
B1	B2	H6	115.941	B1	B2	H9	111.695
B1	B2	H10	111.695	B1	B3	B2	55.499
B1	B3	H7	43.446	B1	B3	H10	98.519
B1	B3	H11	118.663	B1	B3	H12	115.246
B1	B4	B2	55.499	B1	B4	H8	43.446
B1	B4	H9	98.519	B1	B4	H13	118.663
B1	B4	H14	115.246	B1	H7	B3	86.568
B1	H8	B4	86.568	B2	B1	B3	62.251
B2	B1	B4	62.251	B2	B1	H5	115.941
B2	B1	H7	111.695	B2	B1	H8	111.695
B2	B3	H7	98.519	B2	B3	H10	43.446
B2	B3	H11	118.663	B2	B3	H12	115.246
B2	B4	H8	98.519	B2	B4	H9	43.446
B2	B4	H13	118.663	B2	B4	H14	115.246
B2	H9	B4	86.568	B2	H10	B3	86.568
B3	B1	B4	98.235	B3	B1	H5	128.121
B3	B1	H7	49.986	B3	B1	H8	116.762
B3	B2	B4	98.235	B3	B2	H6	128.121
B3	B2	H9	116.762	B3	B2	H10	49.986
B4	B1	H5	128.121	B4	B1	H7	116.762
B4	B1	H8	49.986	B4	B2	H6	128.121
B4	B2	H9	49.986	B4	B2	H10	116.762
H5	B1	H7	111.291	H5	B1	H8	111.291
H6	B2	H9	111.291	H6	B2	H10	111.291
H7	B1	H8	92.606	H7	B3	H10	139.685
H7	B3	H11	94.836	H7	B3	H12	104.711
H8	B4	H9	139.685	H8	B4	H13	94.836
H8	B4	H14	104.711	H9	B2	H10	92.606
H9	B4	H13	94.836	H9	B4	H14	104.711
H10	B3	H11	94.836	H10	B3	H12	104.711
H11	B3	H12	118.370	H13	B4	H14	118.370

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

using model chemistry: PBEPBEultrafine/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	-0.124
2	B	-0.124
3	B	-0.141
4	B	-0.141
5	H	0.031
6	H	0.031
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.111
11	H	0.002
12	H	0.011
13	H	0.002
14	H	0.011

<r²>	90.548
(<r²>)^1/2	9.516

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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