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	hartrees
Energy at 0K	-105.207627
Energy at 298.15K	-105.218684
HF Energy	-105.069566
Nuclear repulsion energy	104.443682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2705	2705	104.69
2	A₁	2687	2687	30.57
3	A₁	2598	2598	49.22
4	A₁	2246	2246	14.02
5	A₁	1572	1572	10.12
6	A₁	1187	1187	9.95
7	A₁	1023	1023	3.83
8	A₁	865	865	0.00
9	A₁	812	812	0.91
10	A₁	688	688	0.00
11	A₁	572	572	0.03
12	A₁	223	223	7.32
13	A₂	2280	2280	0.00
14	A₂	1461	1461	0.00
15	A₂	1102	1102	0.00
16	A₂	1042	1042	0.00
17	A₂	925	925	0.00
18	A₂	686	686	0.00
19	A₂	418	418	0.00
20	B₁	2696	2696	32.58
21	B₁	2248	2248	14.03
22	B₁	1524	1524	44.41
23	B₁	1120	1120	11.13
24	B₁	1032	1032	47.12
25	B₁	931	931	12.01
26	B₁	771	771	0.75
27	B₁	577	577	20.84
28	B₂	2688	2688	78.39
29	B₂	2594	2594	78.07
30	B₂	2267	2267	125.41
31	B₂	1326	1326	4.13
32	B₂	1170	1170	38.31
33	B₂	951	951	18.12
34	B₂	885	885	36.11
35	B₂	491	491	10.52
36	B₂	362	362	1.82

Atom	x (Å)	y (Å)	z (Å)
B1	-0.861	0.000	-0.462
B2	0.861	0.000	-0.462
B3	0.000	1.406	0.390
B4	0.000	-1.406	0.390
H5	-1.368	0.000	-1.530
H6	1.368	0.000	-1.530
H7	-1.325	0.915	0.264
H8	-1.325	-0.915	0.264
H9	1.325	-0.915	0.264
H10	1.325	0.915	0.264
H11	0.000	1.439	1.582
H12	0.000	2.427	-0.217
H13	0.000	-1.439	1.582
H14	0.000	-2.427	-0.217

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7221	1.8557	1.8557	1.1825	2.4719	1.2567	1.2567	2.4788	2.4788	2.6439	2.5872	2.6439	2.5872
B2	1.7221		1.8557	1.8557	2.4719	1.1825	2.4788	2.4788	1.2567	1.2567	2.6439	2.5872	2.6439	2.5872
B3	1.8557	1.8557		2.8119	2.7450	2.7450	1.4192	2.6756	2.6756	1.4192	1.1927	1.1878	3.0847	3.8809
B4	1.8557	1.8557	2.8119		2.7450	2.7450	2.6756	1.4192	1.4192	2.6756	3.0847	3.8809	1.1927	1.1878
H5	1.1825	2.4719	2.7450	2.7450		2.7363	2.0142	2.0142	3.3631	3.3631	3.6918	3.0805	3.6918	3.0805
H6	2.4719	1.1825	2.7450	2.7450	2.7363		3.3631	3.3631	2.0142	2.0142	3.6918	3.0805	3.6918	3.0805
H7	1.2567	2.4788	1.4192	2.6756	2.0142	3.3631		1.8297	3.2211	2.6510	1.9416	2.0676	3.0059	3.6273
H8	1.2567	2.4788	2.6756	1.4192	2.0142	3.3631	1.8297		2.6510	3.2211	3.0059	3.6273	1.9416	2.0676
H9	2.4788	1.2567	2.6756	1.4192	3.3631	2.0142	3.2211	2.6510		1.8297	3.0059	3.6273	1.9416	2.0676
H10	2.4788	1.2567	1.4192	2.6756	3.3631	2.0142	2.6510	3.2211	1.8297		1.9416	2.0676	3.0059	3.6273
H11	2.6439	2.6439	1.1927	3.0847	3.6918	3.6918	1.9416	3.0059	3.0059	1.9416		2.0522	2.8780	4.2642
H12	2.5872	2.5872	1.1878	3.8809	3.0805	3.0805	2.0676	3.6273	3.6273	2.0676	2.0522		4.2642	4.8546
H13	2.6439	2.6439	3.0847	1.1927	3.6918	3.6918	3.0059	1.9416	1.9416	3.0059	2.8780	4.2642		2.0522
H14	2.5872	2.5872	3.8809	1.1878	3.0805	3.0805	3.6273	2.0676	2.0676	3.6273	4.2642	4.8546	2.0522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.354	B1	B2	B4	62.354
B1	B2	H6	115.393	B1	B2	H9	111.690
B1	B2	H10	111.690	B1	B3	B2	55.291
B1	B3	H7	42.579	B1	B3	H10	97.493
B1	B3	H11	118.674	B1	B3	H12	114.657
B1	B4	B2	55.291	B1	B4	H8	42.579
B1	B4	H9	97.493	B1	B4	H13	118.674
B1	B4	H14	114.657	B1	H7	B3	87.595
B1	H8	B4	87.595	B2	B1	B3	62.354
B2	B1	B4	62.354	B2	B1	H5	115.393
B2	B1	H7	111.690	B2	B1	H8	111.690
B2	B3	H7	97.493	B2	B3	H10	42.579
B2	B3	H11	118.674	B2	B3	H12	114.657
B2	B4	H8	97.493	B2	B4	H9	42.579
B2	B4	H13	118.674	B2	B4	H14	114.657
B2	H9	B4	87.595	B2	H10	B3	87.595
B3	B1	B4	98.513	B3	B1	H5	127.853
B3	B1	H7	49.826	B3	B1	H8	117.258
B3	B2	B4	98.513	B3	B2	H6	127.853
B3	B2	H9	117.258	B3	B2	H10	49.826
B4	B1	H5	127.853	B4	B1	H7	117.258
B4	B1	H8	49.826	B4	B2	H6	127.853
B4	B2	H9	49.826	B4	B2	H10	117.258
H5	B1	H7	111.295	H5	B1	H8	111.295
H6	B2	H9	111.295	H6	B2	H10	111.295
H7	B1	H8	93.436	H7	B3	H10	138.133
H7	B3	H11	95.648	H7	B3	H12	104.608
H8	B4	H9	138.133	H8	B4	H13	95.648
H8	B4	H14	104.608	H9	B2	H10	93.436
H9	B4	H13	95.648	H9	B4	H14	104.608
H10	B3	H11	95.648	H10	B3	H12	104.608
H11	B3	H12	119.106	H13	B4	H14	119.106

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

using model chemistry: B2PLYP/6-311G*

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	-0.394
2	B	-0.394
3	B	-0.470
4	B	-0.470
5	H	0.137
6	H	0.137
7	H	0.231
8	H	0.231
9	H	0.231
10	H	0.231
11	H	0.146
12	H	0.118
13	H	0.146
14	H	0.118

<r²>	91.330
(<r²>)^1/2	9.557

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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