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	hartrees
Energy at 0K	-105.316457
Energy at 298.15K	-105.327610
HF Energy	-105.316457
Nuclear repulsion energy	104.446957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2751	2604	87.83
2	A₁	2724	2579	34.54
3	A₁	2627	2486	46.14
4	A₁	2244	2124	13.10
5	A₁	1561	1478	8.24
6	A₁	1188	1124	6.57
7	A₁	1020	965	5.91
8	A₁	876	829	0.01
9	A₁	827	783	0.50
10	A₁	706	668	0.08
11	A₁	596	564	0.31
12	A₁	222	210	7.28
13	A₂	2288	2166	0.00
14	A₂	1460	1382	0.00
15	A₂	1111	1051	0.00
16	A₂	1054	997	0.00
17	A₂	928	878	0.00
18	A₂	695	658	0.00
19	A₂	426	403	0.00
20	B₁	2742	2596	28.96
21	B₁	2251	2131	11.86
22	B₁	1518	1436	32.59
23	B₁	1128	1068	3.23
24	B₁	1038	983	40.93
25	B₁	937	887	20.21
26	B₁	759	718	0.31
27	B₁	598	566	24.27
28	B₂	2726	2580	74.63
29	B₂	2624	2484	66.99
30	B₂	2272	2151	104.90
31	B₂	1325	1254	4.98
32	B₂	1170	1108	23.30
33	B₂	943	893	6.90
34	B₂	893	846	38.17
35	B₂	523	495	6.60
36	B₂	385	364	3.75

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.466
B2	0.858	0.000	-0.466
B3	0.000	1.400	0.394
B4	0.000	-1.400	0.394
H5	-1.357	0.000	-1.538
H6	1.357	0.000	-1.538
H7	-1.333	0.925	0.246
H8	-1.333	-0.925	0.246
H9	1.333	-0.925	0.246
H10	1.333	0.925	0.246
H11	0.000	1.411	1.589
H12	0.000	2.437	-0.187
H13	0.000	-1.411	1.589
H14	0.000	-2.437	-0.187

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7161	1.8539	1.8539	1.1822	2.4605	1.2602	1.2602	2.4828	2.4828	2.6364	2.5989	2.6364	2.5989
B2	1.7161		1.8539	1.8539	2.4605	1.1822	2.4828	2.4828	1.2602	1.2602	2.6364	2.5989	2.6364	2.5989
B3	1.8539	1.8539		2.8006	2.7448	2.7448	1.4232	2.6849	2.6849	1.4232	1.1949	1.1891	3.0550	3.8815
B4	1.8539	1.8539	2.8006		2.7448	2.7448	2.6849	1.4232	1.4232	2.6849	3.0550	3.8815	1.1949	1.1891
H5	1.1822	2.4605	2.7448	2.7448		2.7135	2.0091	2.0091	3.3575	3.3575	3.6891	3.0990	3.6891	3.0990
H6	2.4605	1.1822	2.7448	2.7448	2.7135		3.3575	3.3575	2.0091	2.0091	3.6891	3.0990	3.6891	3.0990
H7	1.2602	2.4828	1.4232	2.6849	2.0091	3.3575		1.8508	3.2460	2.6667	1.9543	2.0619	3.0072	3.6432
H8	1.2602	2.4828	2.6849	1.4232	2.0091	3.3575	1.8508		2.6667	3.2460	3.0072	3.6432	1.9543	2.0619
H9	2.4828	1.2602	2.6849	1.4232	3.3575	2.0091	3.2460	2.6667		1.8508	3.0072	3.6432	1.9543	2.0619
H10	2.4828	1.2602	1.4232	2.6849	3.3575	2.0091	2.6667	3.2460	1.8508		1.9543	2.0619	3.0072	3.6432
H11	2.6364	2.6364	1.1949	3.0550	3.6891	3.6891	1.9543	3.0072	3.0072	1.9543		2.0517	2.8227	4.2390
H12	2.5989	2.5989	1.1891	3.8815	3.0990	3.0990	2.0619	3.6432	3.6432	2.0619	2.0517		4.2390	4.8746
H13	2.6364	2.6364	3.0550	1.1949	3.6891	3.6891	3.0072	1.9543	1.9543	3.0072	2.8227	4.2390		2.0517
H14	2.5989	2.5989	3.8815	1.1891	3.0990	3.0990	3.6432	2.0619	2.0619	3.6432	4.2390	4.8746	2.0517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.430	B1	B2	B4	62.430
B1	B2	H6	114.950	B1	B2	H9	112.159
B1	B2	H10	112.159	B1	B3	B2	55.140
B1	B3	H7	42.762	B1	B3	H10	97.645
B1	B3	H11	118.092	B1	B3	H12	115.575
B1	B4	B2	55.140	B1	B4	H8	42.762
B1	B4	H9	97.645	B1	B4	H13	118.092
B1	B4	H14	115.575	B1	H7	B3	87.174
B1	H8	B4	87.174	B2	B1	B3	62.430
B2	B1	B4	62.430	B2	B1	H5	114.950
B2	B1	H7	112.159	B2	B1	H8	112.159
B2	B3	H7	97.645	B2	B3	H10	42.762
B2	B3	H11	118.092	B2	B3	H12	115.575
B2	B4	H8	97.645	B2	B4	H9	42.762
B2	B4	H13	118.092	B2	B4	H14	115.575
B2	H9	B4	87.174	B2	H10	B3	87.174
B3	B1	B4	98.111	B3	B1	H5	128.016
B3	B1	H7	50.065	B3	B1	H8	117.865
B3	B2	B4	98.111	B3	B2	H6	128.016
B3	B2	H9	117.865	B3	B2	H10	50.065
B4	B1	H5	128.016	B4	B1	H7	117.865
B4	B1	H8	50.065	B4	B2	H6	128.016
B4	B2	H9	50.065	B4	B2	H10	117.865
H5	B1	H7	110.647	H5	B1	H8	110.647
H6	B2	H9	110.647	H6	B2	H10	110.647
H7	B1	H8	94.497	H7	B3	H10	139.062
H7	B3	H11	96.180	H7	B3	H12	103.877
H8	B4	H9	139.062	H8	B4	H13	96.180
H8	B4	H14	103.877	H9	B2	H10	94.497
H9	B4	H13	96.180	H9	B4	H14	103.877
H10	B3	H11	96.180	H10	B3	H12	103.877
H11	B3	H12	118.771	H13	B4	H14	118.771

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

using model chemistry: mPW1PW91/6-31G

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	-0.202
2	B	-0.202
3	B	-0.195
4	B	-0.195
5	H	0.072
6	H	0.072
7	H	0.120
8	H	0.120
9	H	0.120
10	H	0.120
11	H	0.044
12	H	0.041
13	H	0.044
14	H	0.041

<r²>	90.716
(<r²>)^1/2	9.525

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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