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	hartrees
Energy at 0K	-104.681539
Energy at 298.15K	-104.692622
HF Energy	-104.681539
Nuclear repulsion energy	105.302507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2688	2634	48.16
2	A₁	2653	2599	25.39
3	A₁	2551	2499	36.96
4	A₁	2171	2127	1.98
5	A₁	1544	1513	2.47
6	A₁	1135	1112	1.62
7	A₁	957	938	8.36
8	A₁	875	858	6.17
9	A₁	810	793	0.02
10	A₁	677	663	2.68
11	A₁	625	613	2.21
12	A₁	217	213	10.07
13	A₂	2231	2186	0.00
14	A₂	1461	1431	0.00
15	A₂	1064	1043	0.00
16	A₂	1000	979	0.00
17	A₂	925	906	0.00
18	A₂	719	705	0.00
19	A₂	416	407	0.00
20	B₁	2681	2627	19.24
21	B₁	2195	2150	16.04
22	B₁	1497	1467	13.09
23	B₁	1066	1044	0.74
24	B₁	999	979	22.46
25	B₁	900	882	19.34
26	B₁	702	687	2.99
27	B₁	618	606	13.07
28	B₂	2655	2602	64.22
29	B₂	2551	2499	45.30
30	B₂	2208	2163	38.73
31	B₂	1314	1287	6.96
32	B₂	1120	1097	7.00
33	B₂	896	878	12.54
34	B₂	871	853	1.78
35	B₂	609	596	4.79
36	B₂	363	356	4.78

Atom	x (Å)	y (Å)	z (Å)
B1	-0.845	0.000	-0.467
B2	0.845	0.000	-0.467
B3	0.000	1.366	0.388
B4	0.000	-1.366	0.388
H5	-1.356	0.000	-1.544
H6	1.356	0.000	-1.544
H7	-1.334	0.928	0.252
H8	-1.334	-0.928	0.252
H9	1.334	-0.928	0.252
H10	1.334	0.928	0.252
H11	0.000	1.355	1.595
H12	0.000	2.434	-0.160
H13	0.000	-1.355	1.595
H14	0.000	-2.434	-0.160

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.6904	1.8199	1.8199	1.1917	2.4504	1.2721	1.2721	2.4756	2.4756	2.6079	2.5944	2.6079	2.5944
B2	1.6904		1.8199	1.8199	2.4504	1.1917	2.4756	2.4756	1.2721	1.2721	2.6079	2.5944	2.6079	2.5944
B3	1.8199	1.8199		2.7330	2.7269	2.7269	1.4107	2.6579	2.6579	1.4107	1.2071	1.1993	2.9773	3.8393
B4	1.8199	1.8199	2.7330		2.7269	2.7269	2.6579	1.4107	1.4107	2.6579	2.9773	3.8393	1.2071	1.1993
H5	1.1917	2.4504	2.7269	2.7269		2.7120	2.0218	2.0218	3.3651	3.3651	3.6775	3.1106	3.6775	3.1106
H6	2.4504	1.1917	2.7269	2.7269	2.7120		3.3651	3.3651	2.0218	2.0218	3.6775	3.1106	3.6775	3.1106
H7	1.2721	2.4756	1.4107	2.6579	2.0218	3.3651		1.8567	3.2506	2.6682	1.9401	2.0531	2.9658	3.6403
H8	1.2721	2.4756	2.6579	1.4107	2.0218	3.3651	1.8567		2.6682	3.2506	2.9658	3.6403	1.9401	2.0531
H9	2.4756	1.2721	2.6579	1.4107	3.3651	2.0218	3.2506	2.6682		1.8567	2.9658	3.6403	1.9401	2.0531
H10	2.4756	1.2721	1.4107	2.6579	3.3651	2.0218	2.6682	3.2506	1.8567		1.9401	2.0531	2.9658	3.6403
H11	2.6079	2.6079	1.2071	2.9773	3.6775	3.6775	1.9401	2.9658	2.9658	1.9401		2.0594	2.7103	4.1752
H12	2.5944	2.5944	1.1993	3.8393	3.1106	3.1106	2.0531	3.6403	3.6403	2.0531	2.0594		4.1752	4.8671
H13	2.6079	2.6079	2.9773	1.2071	3.6775	3.6775	2.9658	1.9401	1.9401	2.9658	2.7103	4.1752		2.0594
H14	2.5944	2.5944	3.8393	1.1993	3.1106	3.1106	3.6403	2.0531	2.0531	3.6403	4.1752	4.8671	2.0594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.328	B1	B2	B4	62.328
B1	B2	H6	115.381	B1	B2	H9	112.603
B1	B2	H10	112.603	B1	B3	B2	55.344
B1	B3	H7	44.155	B1	B3	H10	99.260
B1	B3	H11	117.551	B1	B3	H12	116.983
B1	B4	B2	55.344	B1	B4	H8	44.155
B1	B4	H9	99.260	B1	B4	H13	117.551
B1	B4	H14	116.983	B1	H7	B3	85.266
B1	H8	B4	85.266	B2	B1	B3	62.328
B2	B1	B4	62.328	B2	B1	H5	115.381
B2	B1	H7	112.603	B2	B1	H8	112.603
B2	B3	H7	99.260	B2	B3	H10	44.155
B2	B3	H11	117.551	B2	B3	H12	116.983
B2	B4	H8	99.260	B2	B4	H9	44.155
B2	B4	H13	117.551	B2	B4	H14	116.983
B2	H9	B4	85.266	B2	H10	B3	85.266
B3	B1	B4	97.328	B3	B1	H5	128.562
B3	B1	H7	50.580	B3	B1	H8	117.445
B3	B2	B4	97.328	B3	B2	H6	128.562
B3	B2	H9	117.445	B3	B2	H10	50.580
B4	B1	H5	128.562	B4	B1	H7	117.445
B4	B1	H8	50.580	B4	B2	H6	128.562
B4	B2	H9	50.580	B4	B2	H10	117.445
H5	B1	H7	110.250	H5	B1	H8	110.250
H6	B2	H9	110.250	H6	B2	H10	110.250
H7	B1	H8	93.734	H7	B3	H10	142.059
H7	B3	H11	95.339	H7	B3	H12	103.447
H8	B4	H9	142.059	H8	B4	H13	95.339
H8	B4	H14	103.447	H9	B2	H10	93.734
H9	B4	H13	95.339	H9	B4	H14	103.447
H10	B3	H11	95.339	H10	B3	H12	103.447
H11	B3	H12	117.696	H13	B4	H14	117.696

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

using model chemistry: LSDA/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	-0.198
2	B	-0.198
3	B	-0.296
4	B	-0.296
5	H	0.092
6	H	0.092
7	H	0.143
8	H	0.143
9	H	0.143
10	H	0.143
11	H	0.057
12	H	0.059
13	H	0.057
14	H	0.059

<r²>	89.160
(<r²>)^1/2	9.442

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

using model chemistry: LSDA/6-31G

States and conformations

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