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	hartrees
Energy at 0K	-104.026879
Energy at 298.15K	-104.037768
HF Energy	-104.026879
Nuclear repulsion energy	104.656730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	2805	0.05
2	A₁	3141	2773	1.01
3	A₁	3026	2672	0.50
4	A₁	2451	2164	6.47
5	A₁	1663	1469	15.78
6	A₁	1323	1168	11.61
7	A₁	1144	1010	10.48
8	A₁	954	843	0.11
9	A₁	890	786	1.43
10	A₁	766	677	0.81
11	A₁	610	539	0.05
12	A₁	240	212	9.55
13	A₂	2496	2204	0.00
14	A₂	1510	1333	0.00
15	A₂	1195	1055	0.00
16	A₂	1150	1015	0.00
17	A₂	956	844	0.00
18	A₂	727	642	0.00
19	A₂	427	377	0.00
20	B₁	3139	2772	0.13
21	B₁	2457	2170	137.34
22	B₁	1595	1409	16.17
23	B₁	1233	1089	11.26
24	B₁	1127	995	75.53
25	B₁	1022	902	33.10
26	B₁	805	711	0.02
27	B₁	630	556	22.90
28	B₂	3178	2806	0.79
29	B₂	3027	2673	3.28
30	B₂	2494	2202	44.57
31	B₂	1433	1265	0.71
32	B₂	1308	1155	41.78
33	B₂	1015	896	6.46
34	B₂	947	836	66.77
35	B₂	492	434	11.46
36	B₂	415	366	2.33

Atom	x (Å)	y (Å)	z (Å)
B1	-0.856	0.000	-0.473
B2	0.856	0.000	-0.473
B3	0.000	1.402	0.407
B4	0.000	-1.402	0.407
H5	-1.328	0.000	-1.531
H6	1.328	0.000	-1.531
H7	-1.354	0.921	0.222
H8	-1.354	-0.921	0.222
H9	1.354	-0.921	0.222
H10	1.354	0.921	0.222
H11	0.000	1.377	1.573
H12	0.000	2.420	-0.156
H13	0.000	-1.377	1.573
H14	0.000	-2.420	-0.156

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7127	1.8633	1.8633	1.1581	2.4269	1.2569	1.2569	2.4932	2.4932	2.6112	2.5862	2.6112	2.5862
B2	1.7127		1.8633	1.8633	2.4269	1.1581	2.4932	2.4932	1.2569	1.2569	2.6112	2.5862	2.6112	2.5862
B3	1.8633	1.8633		2.8030	2.7354	2.7354	1.4480	2.6946	2.6946	1.4480	1.1668	1.1633	3.0135	3.8624
B4	1.8633	1.8633	2.8030		2.7354	2.7354	2.6946	1.4480	1.4480	2.6946	3.0135	3.8624	1.1668	1.1633
H5	1.1581	2.4269	2.7354	2.7354		2.6559	1.9808	1.9808	3.3337	3.3337	3.6464	3.0836	3.6464	3.0836
H6	2.4269	1.1581	2.7354	2.7354	2.6559		3.3337	3.3337	1.9808	1.9808	3.6464	3.0836	3.6464	3.0836
H7	1.2569	2.4932	1.4480	2.6946	1.9808	3.3337		1.8424	3.2746	2.7071	1.9660	2.0544	2.9899	3.6244
H8	1.2569	2.4932	2.6946	1.4480	1.9808	3.3337	1.8424		2.7071	3.2746	2.9899	3.6244	1.9660	2.0544
H9	2.4932	1.2569	2.6946	1.4480	3.3337	1.9808	3.2746	2.7071		1.8424	2.9899	3.6244	1.9660	2.0544
H10	2.4932	1.2569	1.4480	2.6946	3.3337	1.9808	2.7071	3.2746	1.8424		1.9660	2.0544	2.9899	3.6244
H11	2.6112	2.6112	1.1668	3.0135	3.6464	3.6464	1.9660	2.9899	2.9899	1.9660		2.0193	2.7542	4.1720
H12	2.5862	2.5862	1.1633	3.8624	3.0836	3.0836	2.0544	3.6244	3.6244	2.0544	2.0193		4.1720	4.8392
H13	2.6112	2.6112	3.0135	1.1668	3.6464	3.6464	2.9899	1.9660	1.9660	2.9899	2.7542	4.1720		2.0193
H14	2.5862	2.5862	3.8624	1.1633	3.0836	3.0836	3.6244	2.0544	2.0544	3.6244	4.1720	4.8392	2.0193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.641	B1	B2	B4	62.641
B1	B2	H6	114.032	B1	B2	H9	113.303
B1	B2	H10	113.303	B1	B3	B2	54.718
B1	B3	H7	42.336	B1	B3	H10	96.889
B1	B3	H11	117.159	B1	B3	H12	115.452
B1	B4	B2	54.718	B1	B4	H8	42.336
B1	B4	H9	96.889	B1	B4	H13	117.159
B1	B4	H14	115.452	B1	H7	B3	86.778
B1	H8	B4	86.778	B2	B1	B3	62.641
B2	B1	B4	62.641	B2	B1	H5	114.032
B2	B1	H7	113.303	B2	B1	H8	113.303
B2	B3	H7	96.889	B2	B3	H10	42.336
B2	B3	H11	117.159	B2	B3	H12	115.452
B2	B4	H8	96.889	B2	B4	H9	42.336
B2	B4	H13	117.159	B2	B4	H14	115.452
B2	H9	B4	86.778	B2	H10	B3	86.778
B3	B1	B4	97.554	B3	B1	H5	128.208
B3	B1	H7	50.886	B3	B1	H8	118.140
B3	B2	B4	97.554	B3	B2	H6	128.208
B3	B2	H9	118.140	B3	B2	H10	50.886
B4	B1	H5	128.208	B4	B1	H7	118.140
B4	B1	H8	50.886	B4	B2	H6	128.208
B4	B2	H9	50.886	B4	B2	H10	118.140
H5	B1	H7	110.146	H5	B1	H8	110.146
H6	B2	H9	110.146	H6	B2	H10	110.146
H7	B1	H8	94.261	H7	B3	H10	138.376
H7	B3	H11	96.913	H7	B3	H12	103.220
H8	B4	H9	138.376	H8	B4	H13	96.913
H8	B4	H14	103.220	H9	B2	H10	94.261
H9	B4	H13	96.913	H9	B4	H14	103.220
H10	B3	H11	96.913	H10	B3	H12	103.220
H11	B3	H12	120.134	H13	B4	H14	120.134

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

using model chemistry: B1B95/STO-3G

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	-0.112
2	B	-0.112
3	B	-0.006
4	B	-0.006
5	H	0.005
6	H	0.005
7	H	0.068
8	H	0.068
9	H	0.068
10	H	0.068
11	H	-0.013
12	H	-0.011
13	H	-0.013
14	H	-0.011

<r²>	89.306
(<r²>)^1/2	9.450

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

using model chemistry: B1B95/STO-3G

States and conformations

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