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	hartrees
Energy at 0K	-105.361689
Energy at 298.15K	-105.372740
HF Energy	-105.361689
Nuclear repulsion energy	104.629653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2707	2599	88.92
2	A₁	2678	2571	42.57
3	A₁	2589	2486	56.94
4	A₁	2236	2147	8.20
5	A₁	1584	1521	6.79
6	A₁	1171	1124	7.49
7	A₁	988	949	5.03
8	A₁	860	826	0.58
9	A₁	809	776	0.72
10	A₁	672	645	0.19
11	A₁	586	563	0.29
12	A₁	209	200	8.09
13	A₂	2280	2189	0.00
14	A₂	1484	1425	0.00
15	A₂	1077	1034	0.00
16	A₂	1028	987	0.00
17	A₂	922	885	0.00
18	A₂	701	673	0.00
19	A₂	422	405	0.00
20	B₁	2700	2592	35.09
21	B₁	2247	2157	8.50
22	B₁	1538	1476	39.26
23	B₁	1090	1046	12.41
24	B₁	1003	963	39.56
25	B₁	914	877	13.46
26	B₁	750	720	1.84
27	B₁	588	564	15.99
28	B₂	2680	2573	88.62
29	B₂	2585	2482	78.17
30	B₂	2263	2173	104.14
31	B₂	1338	1285	5.46
32	B₂	1157	1111	31.37
33	B₂	936	898	24.39
34	B₂	885	850	16.20
35	B₂	541	520	7.88
36	B₂	362	348	2.27

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.463
B2	0.858	0.000	-0.463
B3	0.000	1.397	0.386
B4	0.000	-1.397	0.386
H5	-1.376	0.000	-1.531
H6	1.376	0.000	-1.531
H7	-1.321	0.915	0.271
H8	-1.321	-0.915	0.271
H9	1.321	-0.915	0.271
H10	1.321	0.915	0.271
H11	0.000	1.431	1.585
H12	0.000	2.428	-0.214
H13	0.000	-1.431	1.585
H14	0.000	-2.428	-0.214

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7169	1.8464	1.8464	1.1867	2.4763	1.2611	1.2611	2.4753	2.4753	2.6414	2.5877	2.6414	2.5877
B2	1.7169		1.8464	1.8464	2.4763	1.1867	2.4753	2.4753	1.2611	1.2611	2.6414	2.5877	2.6414	2.5877
B3	1.8464	1.8464		2.7941	2.7420	2.7420	1.4110	2.6658	2.6658	1.4110	1.1990	1.1931	3.0719	3.8722
B4	1.8464	1.8464	2.7941		2.7420	2.7420	2.6658	1.4110	1.4110	2.6658	3.0719	3.8722	1.1990	1.1931
H5	1.1867	2.4763	2.7420	2.7420		2.7512	2.0216	2.0216	3.3700	3.3700	3.6942	3.0861	3.6942	3.0861
H6	2.4763	1.1867	2.7420	2.7420	2.7512		3.3700	3.3700	2.0216	2.0216	3.6942	3.0861	3.6942	3.0861
H7	1.2611	2.4753	1.4110	2.6658	2.0216	3.3700		1.8308	3.2148	2.6425	1.9333	2.0664	2.9965	3.6279
H8	1.2611	2.4753	2.6658	1.4110	2.0216	3.3700	1.8308		2.6425	3.2148	2.9965	3.6279	1.9333	2.0664
H9	2.4753	1.2611	2.6658	1.4110	3.3700	2.0216	3.2148	2.6425		1.8308	2.9965	3.6279	1.9333	2.0664
H10	2.4753	1.2611	1.4110	2.6658	3.3700	2.0216	2.6425	3.2148	1.8308		1.9333	2.0664	2.9965	3.6279
H11	2.6414	2.6414	1.1990	3.0719	3.6942	3.6942	1.9333	2.9965	2.9965	1.9333		2.0563	2.8629	4.2582
H12	2.5877	2.5877	1.1931	3.8722	3.0861	3.0861	2.0664	3.6279	3.6279	2.0664	2.0563		4.2582	4.8568
H13	2.6414	2.6414	3.0719	1.1990	3.6942	3.6942	2.9965	1.9333	1.9333	2.9965	2.8629	4.2582		2.0563
H14	2.5877	2.5877	3.8722	1.1931	3.0861	3.0861	3.6279	2.0664	2.0664	3.6279	4.2582	4.8568	2.0563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.294	B1	B2	B4	62.294
B1	B2	H6	115.835	B1	B2	H9	111.531
B1	B2	H10	111.531	B1	B3	B2	55.413
B1	B3	H7	43.015	B1	B3	H10	98.021
B1	B3	H11	118.763	B1	B3	H12	115.017
B1	B4	B2	55.413	B1	B4	H8	43.015
B1	B4	H9	98.021	B1	B4	H13	118.763
B1	B4	H14	115.017	B1	H7	B3	87.228
B1	H8	B4	87.228	B2	B1	B3	62.294
B2	B1	B4	62.294	B2	B1	H5	115.835
B2	B1	H7	111.531	B2	B1	H8	111.531
B2	B3	H7	98.021	B2	B3	H10	43.015
B2	B3	H11	118.763	B2	B3	H12	115.017
B2	B4	H8	98.021	B2	B4	H9	43.015
B2	B4	H13	118.763	B2	B4	H14	115.017
B2	H9	B4	87.228	B2	H10	B3	87.228
B3	B1	B4	98.339	B3	B1	H5	128.051
B3	B1	H7	49.758	B3	B1	H8	116.903
B3	B2	B4	98.339	B3	B2	H6	128.051
B3	B2	H9	116.903	B3	B2	H10	49.758
B4	B1	H5	128.051	B4	B1	H7	116.903
B4	B1	H8	49.758	B4	B2	H6	128.051
B4	B2	H9	49.758	B4	B2	H10	116.903
H5	B1	H7	111.323	H5	B1	H8	111.323
H6	B2	H9	111.323	H6	B2	H10	111.323
H7	B1	H8	93.089	H7	B3	H10	138.905
H7	B3	H11	95.244	H7	B3	H12	104.714
H8	B4	H9	138.905	H8	B4	H13	95.244
H8	B4	H14	104.714	H9	B2	H10	93.089
H9	B4	H13	95.244	H9	B4	H14	104.714
H10	B3	H11	95.244	H10	B3	H12	104.714
H11	B3	H12	118.545	H13	B4	H14	118.545

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

using model chemistry: B3PW91/6-31+G**

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	-0.091
2	B	-0.091
3	B	-0.231
4	B	-0.231
5	H	0.053
6	H	0.053
7	H	0.100
8	H	0.100
9	H	0.100
10	H	0.100
11	H	0.035
12	H	0.033
13	H	0.035
14	H	0.033

<r²>	90.613
(<r²>)^1/2	9.519

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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