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	hartrees
Energy at 0K	-105.426005
Energy at 298.15K	-105.437014
HF Energy	-105.426005
Nuclear repulsion energy	104.485626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2694	2601	98.56
2	A₁	2673	2581	33.44
3	A₁	2587	2498	52.17
4	A₁	2227	2150	12.33
5	A₁	1571	1517	7.98
6	A₁	1181	1140	8.95
7	A₁	1001	966	5.49
8	A₁	857	827	0.01
9	A₁	803	775	0.98
10	A₁	678	654	0.09
11	A₁	559	540	0.07
12	A₁	216	209	8.24
13	A₂	2256	2178	0.00
14	A₂	1461	1411	0.00
15	A₂	1083	1045	0.00
16	A₂	1034	998	0.00
17	A₂	914	882	0.00
18	A₂	678	655	0.00
19	A₂	420	405	0.00
20	B₁	2686	2593	34.69
21	B₁	2234	2156	12.29
22	B₁	1530	1477	39.81
23	B₁	1100	1062	14.27
24	B₁	1008	973	49.13
25	B₁	917	885	14.02
26	B₁	763	736	1.14
27	B₁	569	549	18.45
28	B₂	2675	2582	79.72
29	B₂	2583	2493	78.93
30	B₂	2243	2165	120.90
31	B₂	1326	1280	5.80
32	B₂	1164	1124	34.42
33	B₂	942	910	21.63
34	B₂	885	854	28.74
35	B₂	476	459	9.77
36	B₂	359	347	1.38

Atom	x (Å)	y (Å)	z (Å)
B1	-0.859	0.000	-0.461
B2	0.859	0.000	-0.461
B3	0.000	1.410	0.388
B4	0.000	-1.410	0.388
H5	-1.372	0.000	-1.525
H6	1.372	0.000	-1.525
H7	-1.316	0.918	0.265
H8	-1.316	-0.918	0.265
H9	1.316	-0.918	0.265
H10	1.316	0.918	0.265
H11	0.000	1.453	1.580
H12	0.000	2.429	-0.221
H13	0.000	-1.453	1.580
H14	0.000	-2.429	-0.221

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7171	1.8567	1.8567	1.1821	2.4718	1.2564	1.2564	2.4694	2.4694	2.6484	2.5875	2.6484	2.5875
B2	1.7171		1.8567	1.8567	2.4718	1.1821	2.4694	2.4694	1.2564	1.2564	2.6484	2.5875	2.6484	2.5875
B3	1.8567	1.8567		2.8209	2.7449	2.7449	1.4106	2.6774	2.6774	1.4106	1.1926	1.1872	3.1017	3.8877
B4	1.8567	1.8567	2.8209		2.7449	2.7449	2.6774	1.4106	1.4106	2.6774	3.1017	3.8877	1.1926	1.1872
H5	1.1821	2.4718	2.7449	2.7449		2.7444	2.0126	2.0126	3.3578	3.3578	3.6931	3.0797	3.6931	3.0797
H6	2.4718	1.1821	2.7449	2.7449	2.7444		3.3578	3.3578	2.0126	2.0126	3.6931	3.0797	3.6931	3.0797
H7	1.2564	2.4694	1.4106	2.6774	2.0126	3.3578		1.8358	3.2091	2.6322	1.9361	2.0621	3.0139	3.6292
H8	1.2564	2.4694	2.6774	1.4106	2.0126	3.3578	1.8358		2.6322	3.2091	3.0139	3.6292	1.9361	2.0621
H9	2.4694	1.2564	2.6774	1.4106	3.3578	2.0126	3.2091	2.6322		1.8358	3.0139	3.6292	1.9361	2.0621
H10	2.4694	1.2564	1.4106	2.6774	3.3578	2.0126	2.6322	3.2091	1.8358		1.9361	2.0621	3.0139	3.6292
H11	2.6484	2.6484	1.1926	3.1017	3.6931	3.6931	1.9361	3.0139	3.0139	1.9361		2.0489	2.9062	4.2799
H12	2.5875	2.5875	1.1872	3.8877	3.0797	3.0797	2.0621	3.6292	3.6292	2.0621	2.0489		4.2799	4.8584
H13	2.6484	2.6484	3.1017	1.1926	3.6931	3.6931	3.0139	1.9361	1.9361	3.0139	2.9062	4.2799		2.0489
H14	2.5875	2.5875	3.8877	1.1872	3.0797	3.0797	3.6292	2.0621	2.0621	3.6292	4.2799	4.8584	2.0489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.459	B1	B2	B4	62.459
B1	B2	H6	115.758	B1	B2	H9	111.357
B1	B2	H10	111.357	B1	B3	B2	55.083
B1	B3	H7	42.552	B1	B3	H10	97.245
B1	B3	H11	118.958	B1	B3	H12	114.646
B1	B4	B2	55.083	B1	B4	H8	42.552
B1	B4	H9	97.245	B1	B4	H13	118.958
B1	B4	H14	114.646	B1	H7	B3	88.045
B1	H8	B4	88.045	B2	B1	B3	62.459
B2	B1	B4	62.459	B2	B1	H5	115.758
B2	B1	H7	111.357	B2	B1	H8	111.357
B2	B3	H7	97.245	B2	B3	H10	42.552
B2	B3	H11	118.958	B2	B3	H12	114.646
B2	B4	H8	97.245	B2	B4	H9	42.552
B2	B4	H13	118.958	B2	B4	H14	114.646
B2	H9	B4	88.045	B2	H10	B3	88.045
B3	B1	B4	98.867	B3	B1	H5	127.792
B3	B1	H7	49.403	B3	B1	H8	117.340
B3	B2	B4	98.867	B3	B2	H6	127.792
B3	B2	H9	117.340	B3	B2	H10	49.403
B4	B1	H5	127.792	B4	B1	H7	117.340
B4	B1	H8	49.403	B4	B2	H6	127.792
B4	B2	H9	49.403	B4	B2	H10	117.340
H5	B1	H7	111.218	H5	B1	H8	111.218
H6	B2	H9	111.218	H6	B2	H10	111.218
H7	B1	H8	93.874	H7	B3	H10	137.802
H7	B3	H11	95.736	H7	B3	H12	104.755
H8	B4	H9	137.802	H8	B4	H13	95.736
H8	B4	H14	104.755	H9	B2	H10	93.874
H9	B4	H13	95.736	H9	B4	H14	104.755
H10	B3	H11	95.736	H10	B3	H12	104.755
H11	B3	H12	118.849	H13	B4	H14	118.849

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

using model chemistry: B3LYP/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	-0.184
2	B	-0.184
3	B	-0.096
4	B	-0.096
5	H	0.027
6	H	0.027
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.111
11	H	0.022
12	H	0.010
13	H	0.022
14	H	0.010

<r²>	91.256
(<r²>)^1/2	9.553

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

using model chemistry: B3LYP/TZVP

States and conformations

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