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	hartrees
Energy at 0K	-104.664967
Energy at 298.15K	-104.675835
HF Energy	-104.664967
Nuclear repulsion energy	103.523113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2702	2684	77.83
2	A₁	2690	2672	9.13
3	A₁	2595	2578	29.92
4	A₁	2180	2165	15.85
5	A₁	1498	1488	6.80
6	A₁	1160	1153	7.30
7	A₁	999	993	4.50
8	A₁	833	828	0.00
9	A₁	795	790	0.08
10	A₁	686	682	0.03
11	A₁	552	548	0.08
12	A₁	235	234	6.58
13	A₂	2194	2180	0.00
14	A₂	1384	1375	0.00
15	A₂	1102	1095	0.00
16	A₂	1031	1024	0.00
17	A₂	874	868	0.00
18	A₂	643	639	0.00
19	A₂	398	395	0.00
20	B₁	2693	2675	20.49
21	B₁	2181	2167	9.54
22	B₁	1453	1444	25.62
23	B₁	1119	1112	1.61
24	B₁	1030	1023	34.22
25	B₁	907	901	17.97
26	B₁	732	727	0.22
27	B₁	551	548	24.12
28	B₂	2693	2676	54.64
29	B₂	2592	2575	58.18
30	B₂	2186	2171	109.21
31	B₂	1274	1265	8.78
32	B₂	1140	1132	23.45
33	B₂	901	896	1.66
34	B₂	849	843	44.58
35	B₂	444	441	7.43
36	B₂	371	368	1.47

Atom	x (Å)	y (Å)	z (Å)
B1	-0.865	0.000	-0.485
B2	0.865	0.000	-0.485
B3	0.000	1.410	0.411
B4	0.000	-1.410	0.411
H5	-1.378	0.000	-1.558
H6	1.378	0.000	-1.558
H7	-1.338	0.925	0.244
H8	-1.338	-0.925	0.244
H9	1.338	-0.925	0.244
H10	1.338	0.925	0.244
H11	0.000	1.384	1.610
H12	0.000	2.454	-0.170
H13	0.000	-1.384	1.610
H14	0.000	-2.454	-0.170

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7300	1.8815	1.8815	1.1888	2.4861	1.2692	1.2692	2.4979	2.4979	2.6561	2.6214	2.6561	2.6214
B2	1.7300		1.8815	1.8815	2.4861	1.1888	2.4979	2.4979	1.2692	1.2692	2.6561	2.6214	2.6561	2.6214
B3	1.8815	1.8815		2.8205	2.7862	2.7862	1.4329	2.6962	2.6962	1.4329	1.1995	1.1950	3.0409	3.9082
B4	1.8815	1.8815	2.8205		2.7862	2.7862	2.6962	1.4329	1.4329	2.6962	3.0409	3.9082	1.1995	1.1950
H5	1.1888	2.4861	2.7862	2.7862		2.7557	2.0259	2.0259	3.3878	3.3878	3.7216	3.1381	3.7216	3.1381
H6	2.4861	1.1888	2.7862	2.7862	2.7557		3.3878	3.3878	2.0259	2.0259	3.7216	3.1381	3.7216	3.1381
H7	1.2692	2.4979	1.4329	2.6962	2.0259	3.3878		1.8494	3.2525	2.6756	1.9663	2.0741	2.9977	3.6579
H8	1.2692	2.4979	2.6962	1.4329	2.0259	3.3878	1.8494		2.6756	3.2525	2.9977	3.6579	1.9663	2.0741
H9	2.4979	1.2692	2.6962	1.4329	3.3878	2.0259	3.2525	2.6756		1.8494	2.9977	3.6579	1.9663	2.0741
H10	2.4979	1.2692	1.4329	2.6962	3.3878	2.0259	2.6756	3.2525	1.8494		1.9663	2.0741	2.9977	3.6579
H11	2.6561	2.6561	1.1995	3.0409	3.7216	3.7216	1.9663	2.9977	2.9977	1.9663		2.0773	2.7684	4.2314
H12	2.6214	2.6214	1.1950	3.9082	3.1381	3.1381	2.0741	3.6579	3.6579	2.0741	2.0773		4.2314	4.9089
H13	2.6561	2.6561	3.0409	1.1995	3.7216	3.7216	2.9977	1.9663	1.9663	2.9977	2.7684	4.2314		2.0773
H14	2.6214	2.6214	3.9082	1.1950	3.1381	3.1381	3.6579	2.0741	2.0741	3.6579	4.2314	4.9089	2.0773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.631	B1	B2	B4	62.631
B1	B2	H6	115.556	B1	B2	H9	111.871
B1	B2	H10	111.871	B1	B3	B2	54.739
B1	B3	H7	42.390	B1	B3	H10	96.883
B1	B3	H11	117.381	B1	B3	H12	115.043
B1	B4	B2	54.739	B1	B4	H8	42.390
B1	B4	H9	96.883	B1	B4	H13	117.381
B1	B4	H14	115.043	B1	H7	B3	88.047
B1	H8	B4	88.047	B2	B1	B3	62.631
B2	B1	B4	62.631	B2	B1	H5	115.556
B2	B1	H7	111.871	B2	B1	H8	111.871
B2	B3	H7	96.883	B2	B3	H10	42.390
B2	B3	H11	117.381	B2	B3	H12	115.043
B2	B4	H8	96.883	B2	B4	H9	42.390
B2	B4	H13	117.381	B2	B4	H14	115.043
B2	H9	B4	88.047	B2	H10	B3	88.047
B3	B1	B4	97.099	B3	B1	H5	128.904
B3	B1	H7	49.563	B3	B1	H8	116.330
B3	B2	B4	97.099	B3	B2	H6	128.904
B3	B2	H9	116.330	B3	B2	H10	49.563
B4	B1	H5	128.904	B4	B1	H7	116.330
B4	B1	H8	49.563	B4	B2	H6	128.904
B4	B2	H9	49.563	B4	B2	H10	116.330
H5	B1	H7	110.970	H5	B1	H8	110.970
H6	B2	H9	110.970	H6	B2	H10	110.970
H7	B1	H8	93.531	H7	B3	H10	138.013
H7	B3	H11	96.250	H7	B3	H12	103.861
H8	B4	H9	138.013	H8	B4	H13	96.250
H8	B4	H14	103.861	H9	B2	H10	93.531
H9	B4	H13	96.250	H9	B4	H14	103.861
H10	B3	H11	96.250	H10	B3	H12	103.861
H11	B3	H12	120.343	H13	B4	H14	120.343

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

using model chemistry: BLYP/3-21G*

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	-0.333
2	B	-0.333
3	B	-0.292
4	B	-0.292
5	H	0.095
6	H	0.095
7	H	0.164
8	H	0.164
9	H	0.164
10	H	0.164
11	H	0.109
12	H	0.093
13	H	0.109
14	H	0.093

<r²>	92.266
(<r²>)^1/2	9.606

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

using model chemistry: BLYP/3-21G*

States and conformations

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