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	hartrees
Energy at 0K	-105.303717
Energy at 298.15K	-105.314563
HF Energy	-105.303717
Nuclear repulsion energy	103.906765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2638	2632	96.97
2	A₁	2619	2613	29.80
3	A₁	2535	2528	50.99
4	A₁	2165	2159	10.84
5	A₁	1521	1518	6.04
6	A₁	1152	1149	8.28
7	A₁	973	970	6.38
8	A₁	836	834	0.01
9	A₁	784	782	0.96
10	A₁	661	659	0.21
11	A₁	541	540	0.09
12	A₁	214	214	8.40
13	A₂	2193	2188	0.00
14	A₂	1404	1400	0.00
15	A₂	1055	1052	0.00
16	A₂	1008	1005	0.00
17	A₂	884	882	0.00
18	A₂	659	657	0.00
19	A₂	410	409	0.00
20	B₁	2631	2624	33.65
21	B₁	2176	2170	8.77
22	B₁	1474	1470	32.66
23	B₁	1072	1069	12.57
24	B₁	980	978	43.77
25	B₁	893	891	13.73
26	B₁	741	739	1.04
27	B₁	549	548	16.65
28	B₂	2621	2615	79.68
29	B₂	2530	2524	76.36
30	B₂	2178	2173	112.46
31	B₂	1285	1282	9.81
32	B₂	1134	1131	29.77
33	B₂	916	914	20.45
34	B₂	863	861	25.63
35	B₂	457	456	9.37
36	B₂	352	351	0.76

Atom	x (Å)	y (Å)	z (Å)
B1	-0.862	0.000	-0.463
B2	0.862	0.000	-0.463
B3	0.000	1.421	0.390
B4	0.000	-1.421	0.390
H5	-1.381	0.000	-1.531
H6	1.381	0.000	-1.531
H7	-1.322	0.924	0.267
H8	-1.322	-0.924	0.267
H9	1.322	-0.924	0.267
H10	1.322	0.924	0.267
H11	0.000	1.465	1.587
H12	0.000	2.443	-0.224
H13	0.000	-1.465	1.587
H14	0.000	-2.443	-0.224

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7240	1.8680	1.8680	1.1877	2.4841	1.2640	1.2640	2.4815	2.4815	2.6630	2.6015	2.6630	2.6015
B2	1.7240		1.8680	1.8680	2.4841	1.1877	2.4815	2.4815	1.2640	1.2640	2.6630	2.6015	2.6630	2.6015
B3	1.8680	1.8680		2.8419	2.7597	2.7597	1.4183	2.6946	2.6946	1.4183	1.1980	1.1924	3.1244	3.9124
B4	1.8680	1.8680	2.8419		2.7597	2.7597	2.6946	1.4183	1.4183	2.6946	3.1244	3.9124	1.1980	1.1924
H5	1.1877	2.4841	2.7597	2.7597		2.7611	2.0225	2.0225	3.3754	3.3754	3.7117	3.0954	3.7117	3.0954
H6	2.4841	1.1877	2.7597	2.7597	2.7611		3.3754	3.3754	2.0225	2.0225	3.7117	3.0954	3.7117	3.0954
H7	1.2640	2.4815	1.4183	2.6946	2.0225	3.3754		1.8472	3.2261	2.6450	1.9455	2.0734	3.0326	3.6502
H8	1.2640	2.4815	2.6946	1.4183	2.0225	3.3754	1.8472		2.6450	3.2261	3.0326	3.6502	1.9455	2.0734
H9	2.4815	1.2640	2.6946	1.4183	3.3754	2.0225	3.2261	2.6450		1.8472	3.0326	3.6502	1.9455	2.0734
H10	2.4815	1.2640	1.4183	2.6946	3.3754	2.0225	2.6450	3.2261	1.8472		1.9455	2.0734	3.0326	3.6502
H11	2.6630	2.6630	1.1980	3.1244	3.7117	3.7117	1.9455	3.0326	3.0326	1.9455		2.0587	2.9299	4.3073
H12	2.6015	2.6015	1.1924	3.9124	3.0954	3.0954	2.0734	3.6502	3.6502	2.0734	2.0587		4.3073	4.8858
H13	2.6630	2.6630	3.1244	1.1980	3.7117	3.7117	3.0326	1.9455	1.9455	3.0326	2.9299	4.3073		2.0587
H14	2.6015	2.6015	3.9124	1.1924	3.0954	3.0954	3.6502	2.0734	2.0734	3.6502	4.3073	4.8858	2.0587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.519	B1	B2	B4	62.519
B1	B2	H6	115.888	B1	B2	H9	111.365
B1	B2	H10	111.365	B1	B3	B2	54.962
B1	B3	H7	42.556	B1	B3	H10	97.122
B1	B3	H11	118.959	B1	B3	H12	114.628
B1	B4	B2	54.962	B1	B4	H8	42.556
B1	B4	H9	97.122	B1	B4	H13	118.959
B1	B4	H14	114.628	B1	H7	B3	88.083
B1	H8	B4	88.083	B2	B1	B3	62.519
B2	B1	B4	62.519	B2	B1	H5	115.888
B2	B1	H7	111.365	B2	B1	H8	111.365
B2	B3	H7	97.122	B2	B3	H10	42.556
B2	B3	H11	118.959	B2	B3	H12	114.628
B2	B4	H8	97.122	B2	B4	H9	42.556
B2	B4	H13	118.959	B2	B4	H14	114.628
B2	H9	B4	88.083	B2	H10	B3	88.083
B3	B1	B4	99.048	B3	B1	H5	127.749
B3	B1	H7	49.361	B3	B1	H8	117.407
B3	B2	B4	99.048	B3	B2	H6	127.749
B3	B2	H9	117.407	B3	B2	H10	49.361
B4	B1	H5	127.749	B4	B1	H7	117.407
B4	B1	H8	49.361	B4	B2	H6	127.749
B4	B2	H9	49.361	B4	B2	H10	117.407
H5	B1	H7	111.126	H5	B1	H8	111.126
H6	B2	H9	111.126	H6	B2	H10	111.126
H7	B1	H8	93.883	H7	B3	H10	137.649
H7	B3	H11	95.710	H7	B3	H12	104.827
H8	B4	H9	137.649	H8	B4	H13	95.710
H8	B4	H14	104.827	H9	B2	H10	93.883
H9	B4	H13	95.710	H9	B4	H14	104.827
H10	B3	H11	95.710	H10	B3	H12	104.827
H11	B3	H12	118.907	H13	B4	H14	118.907

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

using model chemistry: BLYP/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	-0.165
2	B	-0.165
3	B	-0.103
4	B	-0.103
5	H	0.026
6	H	0.026
7	H	0.106
8	H	0.106
9	H	0.106
10	H	0.106
11	H	0.021
12	H	0.009
13	H	0.021
14	H	0.009

<r²>	92.263
(<r²>)^1/2	9.605

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

using model chemistry: BLYP/TZVP

States and conformations

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