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	hartrees
Energy at 0K	-105.431912
Energy at 298.15K	-105.442928
HF Energy	-105.431912
Nuclear repulsion energy	104.604155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2695	2608	92.17
2	A₁	2673	2586	34.74
3	A₁	2589	2505	51.08
4	A₁	2226	2153	12.30
5	A₁	1571	1520	7.19
6	A₁	1181	1143	9.30
7	A₁	997	965	5.26
8	A₁	856	828	0.00
9	A₁	802	776	1.04
10	A₁	675	653	0.05
11	A₁	560	542	0.08
12	A₁	214	207	7.81
13	A₂	2253	2180	0.00
14	A₂	1462	1414	0.00
15	A₂	1079	1044	0.00
16	A₂	1033	1000	0.00
17	A₂	913	883	0.00
18	A₂	678	656	0.00
19	A₂	419	406	0.00
20	B₁	2687	2600	33.00
21	B₁	2232	2160	11.28
22	B₁	1529	1479	35.38
23	B₁	1097	1061	17.11
24	B₁	1005	972	50.77
25	B₁	916	887	13.81
26	B₁	763	738	1.10
27	B₁	569	551	17.58
28	B₂	2675	2588	77.65
29	B₂	2585	2501	76.33
30	B₂	2240	2167	117.84
31	B₂	1327	1283	6.41
32	B₂	1164	1127	34.71
33	B₂	941	910	22.23
34	B₂	884	856	29.28
35	B₂	480	464	9.55
36	B₂	360	348	1.53

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/aug-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	0.060
2	B	0.060
3	B	0.133
4	B	0.133
5	H	-0.115
6	H	-0.115
7	H	0.043
8	H	0.043
9	H	0.043
10	H	0.043
11	H	-0.092
12	H	-0.072
13	H	-0.092
14	H	-0.072

<r²>	91.071
(<r²>)^1/2	9.543

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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