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	hartrees
Energy at 0K	-104.388625
Energy at 298.15K	-104.399175
HF Energy	-104.388625
Nuclear repulsion energy	102.350916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2842	2557	265.44
2	A₁	2827	2544	0.05
3	A₁	2720	2447	77.00
4	A₁	2302	2071	114.73
5	A₁	1554	1399	39.12
6	A₁	1210	1089	16.07
7	A₁	1123	1011	0.60
8	A₁	899	809	2.30
9	A₁	816	734	0.23
10	A₁	722	650	1.10
11	A₁	507	456	0.33
12	A₁	238	214	3.19
13	A₂	2301	2071	0.00
14	A₂	1470	1323	0.00
15	A₂	1166	1049	0.00
16	A₂	1105	994	0.00
17	A₂	883	795	0.00
18	A₂	600	540	0.00
19	A₂	418	377	0.00
20	B₁	2821	2539	56.57
21	B₁	2272	2044	17.92
22	B₁	1542	1388	94.58
23	B₁	1207	1086	1.74
24	B₁	1101	991	68.19
25	B₁	961	865	39.17
26	B₁	820	738	5.24
27	B₁	554	498	81.49
28	B₂	2830	2547	99.41
29	B₂	2714	2443	118.52
30	B₂	2316	2085	463.28
31	B₂	1350	1215	0.58
32	B₂	1195	1075	45.34
33	B₂	1009	908	4.01
34	B₂	826	744	187.26
35	B₂	434	390	8.14
36	B₂	60	54	3.50

Atom	x (Å)	y (Å)	z (Å)
B1	-0.876	0.000	-0.484
B2	0.876	0.000	-0.484
B3	0.000	1.459	0.422
B4	0.000	-1.459	0.422
H5	-1.375	0.000	-1.549
H6	1.375	0.000	-1.549
H7	-1.342	0.938	0.215
H8	-1.342	-0.938	0.215
H9	1.342	-0.938	0.215
H10	1.342	0.938	0.215
H11	0.000	1.446	1.607
H12	0.000	2.477	-0.176
H13	0.000	-1.446	1.607
H14	0.000	-2.477	-0.176

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7525	1.9280	1.9280	1.1752	2.4898	1.2597	1.2597	2.5084	2.5084	2.6892	2.6453	2.6892	2.6453
B2	1.7525		1.9280	1.9280	2.4898	1.1752	2.5084	2.5084	1.2597	1.2597	2.6892	2.6453	2.6892	2.6453
B3	1.9280	1.9280		2.9175	2.8109	2.8109	1.4546	2.7552	2.7552	1.4546	1.1849	1.1809	3.1371	3.9809
B4	1.9280	1.9280	2.9175		2.8109	2.8109	2.7552	1.4546	1.4546	2.7552	3.1371	3.9809	1.1849	1.1809
H5	1.1752	2.4898	2.8109	2.8109		2.7493	1.9980	1.9980	3.3725	3.3725	3.7333	3.1477	3.7333	3.1477
H6	2.4898	1.1752	2.8109	2.8109	2.7493		3.3725	3.3725	1.9980	1.9980	3.7333	3.1477	3.7333	3.1477
H7	1.2597	2.5084	1.4546	2.7552	1.9980	3.3725		1.8768	3.2758	2.6849	1.9993	2.0790	3.0700	3.6904
H8	1.2597	2.5084	2.7552	1.4546	1.9980	3.3725	1.8768		2.6849	3.2758	3.0700	3.6904	1.9993	2.0790
H9	2.5084	1.2597	2.7552	1.4546	3.3725	1.9980	3.2758	2.6849		1.8768	3.0700	3.6904	1.9993	2.0790
H10	2.5084	1.2597	1.4546	2.7552	3.3725	1.9980	2.6849	3.2758	1.8768		1.9993	2.0790	3.0700	3.6904
H11	2.6892	2.6892	1.1849	3.1371	3.7333	3.7333	1.9993	3.0700	3.0700	1.9993		2.0596	2.8921	4.3092
H12	2.6453	2.6453	1.1809	3.9809	3.1477	3.1477	2.0790	3.6904	3.6904	2.0790	2.0596		4.3092	4.9538
H13	2.6892	2.6892	3.1371	1.1849	3.7333	3.7333	3.0700	1.9993	1.9993	3.0700	2.8921	4.3092		2.0596
H14	2.6453	2.6453	3.9809	1.1809	3.1477	3.1477	3.6904	2.0790	2.0790	3.6904	4.3092	4.9538	2.0596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.969	B1	B2	B4	62.969
B1	B2	H6	115.094	B1	B2	H9	111.721
B1	B2	H10	111.721	B1	B3	B2	54.062
B1	B3	H7	40.798	B1	B3	H10	94.695
B1	B3	H11	117.513	B1	B3	H12	114.468
B1	B4	B2	54.062	B1	B4	H8	40.798
B1	B4	H9	94.695	B1	B4	H13	117.513
B1	B4	H14	114.468	B1	H7	B3	90.225
B1	H8	B4	90.225	B2	B1	B3	62.969
B2	B1	B4	62.969	B2	B1	H5	115.094
B2	B1	H7	111.721	B2	B1	H8	111.721
B2	B3	H7	94.695	B2	B3	H10	40.798
B2	B3	H11	117.513	B2	B3	H12	114.468
B2	B4	H8	94.695	B2	B4	H9	40.798
B2	B4	H13	117.513	B2	B4	H14	114.468
B2	H9	B4	90.225	B2	H10	B3	90.225
B3	B1	B4	98.334	B3	B1	H5	128.204
B3	B1	H7	48.977	B3	B1	H8	118.089
B3	B2	B4	98.334	B3	B2	H6	128.204
B3	B2	H9	118.089	B3	B2	H10	48.977
B4	B1	H5	128.204	B4	B1	H7	118.089
B4	B1	H8	48.977	B4	B2	H6	128.204
B4	B2	H9	48.977	B4	B2	H10	118.089
H5	B1	H7	110.228	H5	B1	H8	110.228
H6	B2	H9	110.228	H6	B2	H10	110.228
H7	B1	H8	96.300	H7	B3	H10	134.710
H7	B3	H11	97.960	H7	B3	H12	103.671
H8	B4	H9	134.710	H8	B4	H13	97.960
H8	B4	H14	103.671	H9	B2	H10	96.300
H9	B4	H13	97.960	H9	B4	H14	103.671
H10	B3	H11	97.960	H10	B3	H12	103.671
H11	B3	H12	121.052	H13	B4	H14	121.052

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

using model chemistry: HF/LANL2DZ

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	-0.328
2	B	-0.328
3	B	-0.265
4	B	-0.265
5	H	0.123
6	H	0.123
7	H	0.127
8	H	0.127
9	H	0.127
10	H	0.127
11	H	0.105
12	H	0.111
13	H	0.105
14	H	0.111

<r²>	94.786
(<r²>)^1/2	9.736

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

using model chemistry: HF/LANL2DZ

States and conformations

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