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	hartrees
Energy at 0K	-105.382062
Energy at 298.15K	-105.393111
HF Energy	-105.382062
Nuclear repulsion energy	104.800111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2694	2598	77.44
2	A₁	2666	2571	37.80
3	A₁	2576	2484	50.07
4	A₁	2221	2141	6.73
5	A₁	1579	1523	6.30
6	A₁	1168	1127	6.79
7	A₁	983	948	6.28
8	A₁	855	825	1.00
9	A₁	806	777	0.69
10	A₁	672	648	0.52
11	A₁	584	563	0.23
12	A₁	208	200	8.89
13	A₂	2262	2182	0.00
14	A₂	1480	1427	0.00
15	A₂	1070	1032	0.00
16	A₂	1024	988	0.00
17	A₂	919	887	0.00
18	A₂	699	674	0.00
19	A₂	418	403	0.00
20	B₁	2687	2591	32.37
21	B₁	2233	2153	12.39
22	B₁	1532	1478	32.33
23	B₁	1083	1045	14.34
24	B₁	997	961	37.71
25	B₁	913	881	13.39
26	B₁	746	719	2.16
27	B₁	585	564	14.41
28	B₂	2668	2572	77.81
29	B₂	2573	2481	74.14
30	B₂	2244	2164	91.44
31	B₂	1334	1287	5.27
32	B₂	1153	1112	27.65
33	B₂	930	896	23.94
34	B₂	881	850	13.94
35	B₂	539	519	8.34
36	B₂	356	343	2.21

Atom	x (Å)	y (Å)	z (Å)
B1	-0.856	0.000	-0.461
B2	0.856	0.000	-0.461
B3	0.000	1.396	0.384
B4	0.000	-1.396	0.384
H5	-1.373	0.000	-1.527
H6	1.373	0.000	-1.527
H7	-1.321	0.915	0.273
H8	-1.321	-0.915	0.273
H9	1.321	-0.915	0.273
H10	1.321	0.915	0.273
H11	0.000	1.434	1.581
H12	0.000	2.423	-0.218
H13	0.000	-1.434	1.581
H14	0.000	-2.423	-0.218

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7117	1.8423	1.8423	1.1849	2.4705	1.2613	1.2613	2.4724	2.4724	2.6375	2.5809	2.6375	2.5809
B2	1.7117		1.8423	1.8423	2.4705	1.1849	2.4724	2.4724	1.2613	1.2613	2.6375	2.5809	2.6375	2.5809
B3	1.8423	1.8423		2.7910	2.7358	2.7358	1.4101	2.6634	2.6634	1.4101	1.1970	1.1910	3.0721	3.8656
B4	1.8423	1.8423	2.7910		2.7358	2.7358	2.6634	1.4101	1.4101	2.6634	3.0721	3.8656	1.1970	1.1910
H5	1.1849	2.4705	2.7358	2.7358		2.7455	2.0195	2.0195	3.3662	3.3662	3.6876	3.0768	3.6876	3.0768
H6	2.4705	1.1849	2.7358	2.7358	2.7455		3.3662	3.3662	2.0195	2.0195	3.6876	3.0768	3.6876	3.0768
H7	1.2613	2.4724	1.4101	2.6634	2.0195	3.3662		1.8293	3.2132	2.6417	1.9300	2.0641	2.9953	3.6228
H8	1.2613	2.4724	2.6634	1.4101	2.0195	3.3662	1.8293		2.6417	3.2132	2.9953	3.6228	1.9300	2.0641
H9	2.4724	1.2613	2.6634	1.4101	3.3662	2.0195	3.2132	2.6417		1.8293	2.9953	3.6228	1.9300	2.0641
H10	2.4724	1.2613	1.4101	2.6634	3.3662	2.0195	2.6417	3.2132	1.8293		1.9300	2.0641	2.9953	3.6228
H11	2.6375	2.6375	1.1970	3.0721	3.6876	3.6876	1.9300	2.9953	2.9953	1.9300		2.0530	2.8681	4.2559
H12	2.5809	2.5809	1.1910	3.8656	3.0768	3.0768	2.0641	3.6228	3.6228	2.0641	2.0530		4.2559	4.8456
H13	2.6375	2.6375	3.0721	1.1970	3.6876	3.6876	2.9953	1.9300	1.9300	2.9953	2.8681	4.2559		2.0530
H14	2.5809	2.5809	3.8656	1.1910	3.0768	3.0768	3.6228	2.0641	2.0641	3.6228	4.2559	4.8456	2.0530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.318	B1	B2	B4	62.318
B1	B2	H6	115.864	B1	B2	H9	111.634
B1	B2	H10	111.634	B1	B3	B2	55.364
B1	B3	H7	43.134	B1	B3	H10	98.081
B1	B3	H11	118.870	B1	B3	H12	114.911
B1	B4	B2	55.364	B1	B4	H8	43.134
B1	B4	H9	98.081	B1	B4	H13	118.870
B1	B4	H14	114.911	B1	H7	B3	87.016
B1	H8	B4	87.016	B2	B1	B3	62.318
B2	B1	B4	62.318	B2	B1	H5	115.864
B2	B1	H7	111.634	B2	B1	H8	111.634
B2	B3	H7	98.081	B2	B3	H10	43.134
B2	B3	H11	118.870	B2	B3	H12	114.911
B2	B4	H8	98.081	B2	B4	H9	43.134
B2	B4	H13	118.870	B2	B4	H14	114.911
B2	H9	B4	87.016	B2	H10	B3	87.016
B3	B1	B4	98.488	B3	B1	H5	127.980
B3	B1	H7	49.850	B3	B1	H8	116.990
B3	B2	B4	98.488	B3	B2	H6	127.980
B3	B2	H9	116.990	B3	B2	H10	49.850
B4	B1	H5	127.980	B4	B1	H7	116.990
B4	B1	H8	49.850	B4	B2	H6	127.980
B4	B2	H9	49.850	B4	B2	H10	116.990
H5	B1	H7	111.252	H5	B1	H8	111.252
H6	B2	H9	111.252	H6	B2	H10	111.252
H7	B1	H8	92.966	H7	B3	H10	139.017
H7	B3	H11	95.164	H7	B3	H12	104.721
H8	B4	H9	139.017	H8	B4	H13	95.164
H8	B4	H14	104.721	H9	B2	H10	92.966
H9	B4	H13	95.164	H9	B4	H14	104.721
H10	B3	H11	95.164	H10	B3	H12	104.721
H11	B3	H12	118.558	H13	B4	H14	118.558

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

using model chemistry: B3PW91/TZVP

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	-0.246
2	B	-0.246
3	B	-0.196
4	B	-0.196
5	H	0.057
6	H	0.057
7	H	0.150
8	H	0.150
9	H	0.150
10	H	0.150
11	H	0.051
12	H	0.035
13	H	0.051
14	H	0.035

<r²>	90.354
(<r²>)^1/2	9.505

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

using model chemistry: B3PW91/TZVP

States and conformations

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