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	hartrees
Energy at 0K	-105.215303
Energy at 298.15K	-105.226319
HF Energy	-105.063092
Nuclear repulsion energy	103.932450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2707	2707	95.21
2	A₁	2682	2682	35.17
3	A₁	2593	2593	51.69
4	A₁	2240	2240	14.88
5	A₁	1572	1572	8.35
6	A₁	1183	1183	10.63
7	A₁	995	995	3.70
8	A₁	859	859	0.03
9	A₁	806	806	1.20
10	A₁	675	675	0.00
11	A₁	565	565	0.04
12	A₁	223	223	7.45
13	A₂	2269	2269	0.00
14	A₂	1474	1474	0.00
15	A₂	1073	1073	0.00
16	A₂	1027	1027	0.00
17	A₂	900	900	0.00
18	A₂	681	681	0.00
19	A₂	411	411	0.00
20	B₁	2696	2696	32.59
21	B₁	2239	2239	11.17
22	B₁	1535	1535	44.02
23	B₁	1087	1087	19.75
24	B₁	999	999	50.96
25	B₁	913	913	14.12
26	B₁	760	760	0.87
27	B₁	571	571	18.12
28	B₂	2684	2684	79.65
29	B₂	2588	2588	78.01
30	B₂	2257	2257	127.69
31	B₂	1328	1328	4.16
32	B₂	1164	1164	42.90
33	B₂	937	937	22.03
34	B₂	882	882	33.16
35	B₂	485	485	10.59
36	B₂	353	353	2.11

Atom	x (Å)	y (Å)	z (Å)
B1	-0.866	0.000	-0.468
B2	0.866	0.000	-0.468
B3	0.000	1.412	0.394
B4	0.000	-1.412	0.394
H5	-1.376	0.000	-1.542
H6	1.376	0.000	-1.542
H7	-1.325	0.917	0.267
H8	-1.325	-0.917	0.267
H9	1.325	-0.917	0.267
H10	1.325	0.917	0.267
H11	0.000	1.431	1.594
H12	0.000	2.442	-0.213
H13	0.000	-1.431	1.594
H14	0.000	-2.442	-0.213

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7315	1.8673	1.8673	1.1887	2.4852	1.2622	1.2622	2.4866	2.4866	2.6552	2.6038	2.6552	2.6038
B2	1.7315		1.8673	1.8673	2.4852	1.1887	2.4866	2.4866	1.2622	1.2622	2.6552	2.6038	2.6552	2.6038
B3	1.8673	1.8673		2.8242	2.7630	2.7630	1.4205	2.6832	2.6832	1.4205	1.2003	1.1954	3.0859	3.9019
B4	1.8673	1.8673	2.8242		2.7630	2.7630	2.6832	1.4205	1.4205	2.6832	3.0859	3.9019	1.2003	1.1954
H5	1.1887	2.4852	2.7630	2.7630		2.7510	2.0288	2.0288	3.3777	3.3777	3.7114	3.1024	3.7114	3.1024
H6	2.4852	1.1887	2.7630	2.7630	2.7510		3.3777	3.3777	2.0288	2.0288	3.7114	3.1024	3.7114	3.1024
H7	1.2622	2.4866	1.4205	2.6832	2.0288	3.3777		1.8347	3.2240	2.6510	1.9448	2.0765	3.0055	3.6434
H8	1.2622	2.4866	2.6832	1.4205	2.0288	3.3777	1.8347		2.6510	3.2240	3.0055	3.6434	1.9448	2.0765
H9	2.4866	1.2622	2.6832	1.4205	3.3777	2.0288	3.2240	2.6510		1.8347	3.0055	3.6434	1.9448	2.0765
H10	2.4866	1.2622	1.4205	2.6832	3.3777	2.0288	2.6510	3.2240	1.8347		1.9448	2.0765	3.0055	3.6434
H11	2.6552	2.6552	1.2003	3.0859	3.7114	3.7114	1.9448	3.0055	3.0055	1.9448		2.0705	2.8617	4.2738
H12	2.6038	2.6038	1.1954	3.9019	3.1024	3.1024	2.0765	3.6434	3.6434	2.0765	2.0705		4.2738	4.8846
H13	2.6552	2.6552	3.0859	1.2003	3.7114	3.7114	3.0055	1.9448	1.9448	3.0055	2.8617	4.2738		2.0705
H14	2.6038	2.6038	3.9019	1.1954	3.1024	3.1024	3.6434	2.0765	2.0765	3.6434	4.2738	4.8846	2.0705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.379	B1	B2	B4	62.379
B1	B2	H6	115.396	B1	B2	H9	111.361
B1	B2	H10	111.361	B1	B3	B2	55.242
B1	B3	H7	42.495	B1	B3	H10	97.347
B1	B3	H11	118.259	B1	B3	H12	114.674
B1	B4	B2	55.242	B1	B4	H8	42.495
B1	B4	H9	97.347	B1	B4	H13	118.259
B1	B4	H14	114.674	B1	H7	B3	88.018
B1	H8	B4	88.018	B2	B1	B3	62.379
B2	B1	B4	62.379	B2	B1	H5	115.396
B2	B1	H7	111.361	B2	B1	H8	111.361
B2	B3	H7	97.347	B2	B3	H10	42.495
B2	B3	H11	118.259	B2	B3	H12	114.674
B2	B4	H8	97.347	B2	B4	H9	42.495
B2	B4	H13	118.259	B2	B4	H14	114.674
B2	H9	B4	88.018	B2	H10	B3	88.018
B3	B1	B4	98.264	B3	B1	H5	128.020
B3	B1	H7	49.487	B3	B1	H8	116.720
B3	B2	B4	98.264	B3	B2	H6	128.020
B3	B2	H9	116.720	B3	B2	H10	49.487
B4	B1	H5	128.020	B4	B1	H7	116.720
B4	B1	H8	49.487	B4	B2	H6	128.020
B4	B2	H9	49.487	B4	B2	H10	116.720
H5	B1	H7	111.705	H5	B1	H8	111.705
H6	B2	H9	111.705	H6	B2	H10	111.705
H7	B1	H8	93.238	H7	B3	H10	137.847
H7	B3	H11	95.449	H7	B3	H12	104.757
H8	B4	H9	137.847	H8	B4	H13	95.449
H8	B4	H14	104.757	H9	B2	H10	93.238
H9	B4	H13	95.449	H9	B4	H14	104.757
H10	B3	H11	95.449	H10	B3	H12	104.757
H11	B3	H12	119.590	H13	B4	H14	119.590

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

using model chemistry: B2PLYP/aug-cc-pVDZ

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	-1.822
2	B	-1.822
3	B	-2.716
4	B	-2.716
5	H	0.858
6	H	0.858
7	H	0.801
8	H	0.801
9	H	0.801
10	H	0.801
11	H	1.089
12	H	0.990
13	H	1.089
14	H	0.990

	x	y	z
x	8.971	-0.000	0.000
y	-0.000	10.245	-0.000
z	0.000	-0.000	8.753

<r²>	92.065
(<r²>)^1/2	9.595

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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