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	hartrees
Energy at 0K	-105.431144
Energy at 298.15K	-105.442164
HF Energy	-105.431144
Nuclear repulsion energy	104.604155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2696	2606	91.06
2	A₁	2674	2584	33.66
3	A₁	2590	2504	50.50
4	A₁	2227	2152	11.87
5	A₁	1571	1519	7.11
6	A₁	1182	1142	9.01
7	A₁	999	965	5.33
8	A₁	856	828	0.00
9	A₁	802	776	1.01
10	A₁	676	653	0.05
11	A₁	560	541	0.08
12	A₁	215	207	7.91
13	A₂	2254	2179	0.00
14	A₂	1462	1414	0.00
15	A₂	1080	1044	0.00
16	A₂	1034	1000	0.00
17	A₂	914	883	0.00
18	A₂	679	656	0.00
19	A₂	420	406	0.00
20	B₁	2688	2598	32.88
21	B₁	2233	2159	11.59
22	B₁	1530	1479	35.78
23	B₁	1098	1061	16.63
24	B₁	1005	971	50.06
25	B₁	918	887	13.72
26	B₁	764	738	1.12
27	B₁	569	550	17.85
28	B₂	2675	2586	76.78
29	B₂	2586	2500	75.08
30	B₂	2241	2166	118.34
31	B₂	1327	1283	6.39
32	B₂	1165	1126	34.16
33	B₂	942	911	22.23
34	B₂	885	856	28.86
35	B₂	480	464	9.66
36	B₂	361	349	1.50

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.460
B2	0.858	0.000	-0.460
B3	0.000	1.409	0.388
B4	0.000	-1.409	0.388
H5	-1.371	0.000	-1.523
H6	1.371	0.000	-1.523
H7	-1.315	0.917	0.264
H8	-1.315	-0.917	0.264
H9	1.315	-0.917	0.264
H10	1.315	0.917	0.264
H11	0.000	1.453	1.577
H12	0.000	2.425	-0.222
H13	0.000	-1.453	1.577
H14	0.000	-2.425	-0.222

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7166	1.8548	1.8548	1.1800	2.4694	1.2546	1.2546	2.4673	2.4673	2.6457	2.5839	2.6457	2.5839
B2	1.7166		1.8548	1.8548	2.4694	1.1800	2.4673	2.4673	1.2546	1.2546	2.6457	2.5839	2.6457	2.5839
B3	1.8548	1.8548		2.8179	2.7412	2.7412	1.4091	2.6746	2.6746	1.4091	1.1905	1.1852	3.0997	3.8826
B4	1.8548	1.8548	2.8179		2.7412	2.7412	2.6746	1.4091	1.4091	2.6746	3.0997	3.8826	1.1905	1.1852
H5	1.1800	2.4694	2.7412	2.7412		2.7411	2.0098	2.0098	3.3535	3.3535	3.6882	3.0749	3.6882	3.0749
H6	2.4694	1.1800	2.7412	2.7412	2.7411		3.3535	3.3535	2.0098	2.0098	3.6882	3.0749	3.6882	3.0749
H7	1.2546	2.4673	1.4091	2.6746	2.0098	3.3535		1.8340	3.2058	2.6293	1.9338	2.0592	3.0118	3.6245
H8	1.2546	2.4673	2.6746	1.4091	2.0098	3.3535	1.8340		2.6293	3.2058	3.0118	3.6245	1.9338	2.0592
H9	2.4673	1.2546	2.6746	1.4091	3.3535	2.0098	3.2058	2.6293		1.8340	3.0118	3.6245	1.9338	2.0592
H10	2.4673	1.2546	1.4091	2.6746	3.3535	2.0098	2.6293	3.2058	1.8340		1.9338	2.0592	3.0118	3.6245
H11	2.6457	2.6457	1.1905	3.0997	3.6882	3.6882	1.9338	3.0118	3.0118	1.9338		2.0449	2.9068	4.2758
H12	2.5839	2.5839	1.1852	3.8826	3.0749	3.0749	2.0592	3.6245	3.6245	2.0592	2.0449		4.2758	4.8510
H13	2.6457	2.6457	3.0997	1.1905	3.6882	3.6882	3.0118	1.9338	1.9338	3.0118	2.9068	4.2758		2.0449
H14	2.5839	2.5839	3.8826	1.1852	3.0749	3.0749	3.6245	2.0592	2.0592	3.6245	4.2758	4.8510	2.0449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.436	B1	B2	B4	62.436
B1	B2	H6	115.728	B1	B2	H9	111.330
B1	B2	H10	111.330	B1	B3	B2	55.128
B1	B3	H7	42.533	B1	B3	H10	97.271
B1	B3	H11	119.016	B1	B3	H12	114.617
B1	B4	B2	55.128	B1	B4	H8	42.533
B1	B4	H9	97.271	B1	B4	H13	119.016
B1	B4	H14	114.617	B1	H7	B3	88.069
B1	H8	B4	88.069	B2	B1	B3	62.436
B2	B1	B4	62.436	B2	B1	H5	115.728
B2	B1	H7	111.330	B2	B1	H8	111.330
B2	B3	H7	97.271	B2	B3	H10	42.533
B2	B3	H11	119.016	B2	B3	H12	114.617
B2	B4	H8	97.271	B2	B4	H9	42.533
B2	B4	H13	119.016	B2	B4	H14	114.617
B2	H9	B4	88.069	B2	H10	B3	88.069
B3	B1	B4	98.860	B3	B1	H5	127.777
B3	B1	H7	49.398	B3	B1	H8	117.364
B3	B2	B4	98.860	B3	B2	H6	127.777
B3	B2	H9	117.364	B3	B2	H10	49.398
B4	B1	H5	127.777	B4	B1	H7	117.364
B4	B1	H8	49.398	B4	B2	H6	127.777
B4	B2	H9	49.398	B4	B2	H10	117.364
H5	B1	H7	111.241	H5	B1	H8	111.241
H6	B2	H9	111.241	H6	B2	H10	111.241
H7	B1	H8	93.929	H7	B3	H10	137.812
H7	B3	H11	95.764	H7	B3	H12	104.742
H8	B4	H9	137.812	H8	B4	H13	95.764
H8	B4	H14	104.742	H9	B2	H10	93.929
H9	B4	H13	95.764	H9	B4	H14	104.742
H10	B3	H11	95.764	H10	B3	H12	104.742
H11	B3	H12	118.802	H13	B4	H14	118.802

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

using model chemistry: B3LYP/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	-0.183
2	B	-0.183
3	B	-0.260
4	B	-0.260
5	H	0.062
6	H	0.062
7	H	0.118
8	H	0.118
9	H	0.118
10	H	0.118
11	H	0.084
12	H	0.060
13	H	0.084
14	H	0.060

<r²>	91.079
(<r²>)^1/2	9.544

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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