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	hartrees
Energy at 0K	-104.498590
Energy at 298.15K	-104.509589
HF Energy	-104.498590
Nuclear repulsion energy	103.484142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2776	2526	204.18
2	A₁	2762	2513	5.03
3	A₁	2682	2441	66.31
4	A₁	2340	2129	49.15
5	A₁	1651	1503	19.77
6	A₁	1268	1154	20.13
7	A₁	1107	1008	0.31
8	A₁	904	822	3.01
9	A₁	813	740	0.18
10	A₁	708	644	1.78
11	A₁	529	481	0.02
12	A₁	226	205	5.34
13	A₂	2346	2135	0.00
14	A₂	1543	1405	0.00
15	A₂	1168	1063	0.00
16	A₂	1103	1004	0.00
17	A₂	941	856	0.00
18	A₂	651	592	0.00
19	A₂	424	386	0.00
20	B₁	2760	2512	47.89
21	B₁	2319	2111	14.75
22	B₁	1633	1486	92.09
23	B₁	1196	1089	17.78
24	B₁	1089	992	97.83
25	B₁	970	883	19.80
26	B₁	840	764	0.00
27	B₁	566	515	41.23
28	B₂	2765	2516	91.75
29	B₂	2677	2436	103.03
30	B₂	2349	2138	279.33
31	B₂	1394	1268	1.95
32	B₂	1249	1137	72.31
33	B₂	1020	929	19.10
34	B₂	898	817	100.71
35	B₂	412	375	12.60
36	B₂	258	234	0.08

Atom	x (Å)	y (Å)	z (Å)
B1	-0.871	0.000	-0.471
B2	0.871	0.000	-0.471
B3	0.000	1.436	0.405
B4	0.000	-1.436	0.405
H5	-1.379	0.000	-1.535
H6	1.379	0.000	-1.535
H7	-1.319	0.924	0.243
H8	-1.319	-0.924	0.243
H9	1.319	-0.924	0.243
H10	1.319	0.924	0.243
H11	0.000	1.462	1.591
H12	0.000	2.446	-0.211
H13	0.000	-1.462	1.591
H14	0.000	-2.446	-0.211

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7416	1.8939	1.8939	1.1789	2.4889	1.2504	1.2504	2.4815	2.4815	2.6737	2.6091	2.6737	2.6091
B2	1.7416		1.8939	1.8939	2.4889	1.1789	2.4815	2.4815	1.2504	1.2504	2.6737	2.6091	2.6737	2.6091
B3	1.8939	1.8939		2.8715	2.7795	2.7795	1.4241	2.7080	2.7080	1.4241	1.1865	1.1829	3.1313	3.9300
B4	1.8939	1.8939	2.8715		2.7795	2.7795	2.7080	1.4241	1.4241	2.7080	3.1313	3.9300	1.1865	1.1829
H5	1.1789	2.4889	2.7795	2.7795		2.7587	2.0038	2.0038	3.3605	3.3605	3.7163	3.1042	3.7163	3.1042
H6	2.4889	1.1789	2.7795	2.7795	2.7587		3.3605	3.3605	2.0038	2.0038	3.7163	3.1042	3.7163	3.1042
H7	1.2504	2.4815	1.4241	2.7080	2.0038	3.3605		1.8476	3.2206	2.6380	1.9617	2.0644	3.0416	3.6468
H8	1.2504	2.4815	2.7080	1.4241	2.0038	3.3605	1.8476		2.6380	3.2206	3.0416	3.6468	1.9617	2.0644
H9	2.4815	1.2504	2.7080	1.4241	3.3605	2.0038	3.2206	2.6380		1.8476	3.0416	3.6468	1.9617	2.0644
H10	2.4815	1.2504	1.4241	2.7080	3.3605	2.0038	2.6380	3.2206	1.8476		1.9617	2.0644	3.0416	3.6468
H11	2.6737	2.6737	1.1865	3.1313	3.7163	3.7163	1.9617	3.0416	3.0416	1.9617		2.0530	2.9243	4.3033
H12	2.6091	2.6091	1.1829	3.9300	3.1042	3.1042	2.0644	3.6468	3.6468	2.0644	2.0530		4.3033	4.8914
H13	2.6737	2.6737	3.1313	1.1865	3.7163	3.7163	3.0416	1.9617	1.9617	3.0416	2.9243	4.3033		2.0530
H14	2.6091	2.6091	3.9300	1.1829	3.1042	3.1042	3.6468	2.0644	2.0644	3.6468	4.3033	4.8914	2.0530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.627	B1	B2	B4	62.627
B1	B2	H6	115.556	B1	B2	H9	111.005
B1	B2	H10	111.005	B1	B3	B2	54.746
B1	B3	H7	41.316	B1	B3	H10	95.773
B1	B3	H11	118.638	B1	B3	H12	113.982
B1	B4	B2	54.746	B1	B4	H8	41.316
B1	B4	H9	95.773	B1	B4	H13	118.638
B1	B4	H14	113.982	B1	H7	B3	89.924
B1	H8	B4	89.924	B2	B1	B3	62.627
B2	B1	B4	62.627	B2	B1	H5	115.556
B2	B1	H7	111.005	B2	B1	H8	111.005
B2	B3	H7	95.773	B2	B3	H10	41.316
B2	B3	H11	118.638	B2	B3	H12	113.982
B2	B4	H8	95.773	B2	B4	H9	41.316
B2	B4	H13	118.638	B2	B4	H14	113.982
B2	H9	B4	89.924	B2	H10	B3	89.924
B3	B1	B4	98.591	B3	B1	H5	127.996
B3	B1	H7	48.760	B3	B1	H8	117.448
B3	B2	B4	98.591	B3	B2	H6	127.996
B3	B2	H9	117.448	B3	B2	H10	48.760
B4	B1	H5	127.996	B4	B1	H7	117.448
B4	B1	H8	48.760	B4	B2	H6	127.996
B4	B2	H9	48.760	B4	B2	H10	117.448
H5	B1	H7	111.114	H5	B1	H8	111.114
H6	B2	H9	111.114	H6	B2	H10	111.114
H7	B1	H8	95.260	H7	B3	H10	135.688
H7	B3	H11	97.007	H7	B3	H12	104.333
H8	B4	H9	135.688	H8	B4	H13	97.007
H8	B4	H14	104.333	H9	B2	H10	95.260
H9	B4	H13	97.007	H9	B4	H14	104.333
H10	B3	H11	97.007	H10	B3	H12	104.333
H11	B3	H12	120.098	H13	B4	H14	120.098

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

using model chemistry: HF/cc-pVTZ

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	-0.209
2	B	-0.209
3	B	-0.199
4	B	-0.199
5	H	0.070
6	H	0.070
7	H	0.098
8	H	0.098
9	H	0.098
10	H	0.098
11	H	0.082
12	H	0.061
13	H	0.082
14	H	0.061

<r²>	93.014
(<r²>)^1/2	9.644

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

using model chemistry: HF/cc-pVTZ

States and conformations

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