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	hartrees
Energy at 0K	-104.089536
Energy at 298.15K	-104.100440
HF Energy	-104.089536
Nuclear repulsion energy	104.491099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3223	0.00
2	A₁	3180	3180	1.72
3	A₁	3070	3070	0.51
4	A₁	2477	2477	9.99
5	A₁	1674	1674	21.48
6	A₁	1330	1330	14.16
7	A₁	1168	1168	6.93
8	A₁	954	954	0.84
9	A₁	888	888	1.20
10	A₁	775	775	0.11
11	A₁	598	598	0.00
12	A₁	241	241	8.23
13	A₂	2523	2523	0.00
14	A₂	1521	1521	0.00
15	A₂	1210	1210	0.00
16	A₂	1158	1158	0.00
17	A₂	953	953	0.00
18	A₂	725	725	0.00
19	A₂	433	433	0.00
20	B₁	3178	3178	0.20
21	B₁	2483	2483	131.81
22	B₁	1606	1606	21.91
23	B₁	1250	1250	10.52
24	B₁	1140	1140	83.92
25	B₁	1029	1029	32.90
26	B₁	818	818	0.17
27	B₁	630	630	21.90
28	B₂	3224	3224	0.38
29	B₂	3070	3070	2.85
30	B₂	2520	2520	57.17
31	B₂	1446	1446	0.01
32	B₂	1315	1315	53.58
33	B₂	1031	1031	10.72
34	B₂	951	951	86.91
35	B₂	484	484	12.43
36	B₂	408	408	0.50

Atom	x (Å)	y (Å)	z (Å)
B1	-0.861	0.000	-0.474
B2	0.861	0.000	-0.474
B3	0.000	1.409	0.409
B4	0.000	-1.409	0.409
H5	-1.323	0.000	-1.532
H6	1.323	0.000	-1.532
H7	-1.352	0.918	0.220
H8	-1.352	-0.918	0.220
H9	1.352	-0.918	0.220
H10	1.352	0.918	0.220
H11	0.000	1.382	1.573
H12	0.000	2.421	-0.159
H13	0.000	-1.382	1.573
H14	0.000	-2.421	-0.159

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7213	1.8725	1.8725	1.1547	2.4263	1.2514	1.2514	2.4938	2.4938	2.6150	2.5884	2.6150	2.5884
B2	1.7213		1.8725	1.8725	2.4263	1.1547	2.4938	2.4938	1.2514	1.2514	2.6150	2.5884	2.6150	2.5884
B3	1.8725	1.8725		2.8180	2.7394	2.7394	1.4503	2.6981	2.6981	1.4503	1.1637	1.1605	3.0233	3.8717
B4	1.8725	1.8725	2.8180		2.7394	2.7394	2.6981	1.4503	1.4503	2.6981	3.0233	3.8717	1.1637	1.1605
H5	1.1547	2.4263	2.7394	2.7394		2.6456	1.9783	1.9783	3.3265	3.3265	3.6467	3.0813	3.6467	3.0813
H6	2.4263	1.1547	2.7394	2.7394	2.6456		3.3265	3.3265	1.9783	1.9783	3.6467	3.0813	3.6467	3.0813
H7	1.2514	2.4938	1.4503	2.6981	1.9783	3.3265		1.8370	3.2683	2.7032	1.9676	2.0560	2.9912	3.6223
H8	1.2514	2.4938	2.6981	1.4503	1.9783	3.3265	1.8370		2.7032	3.2683	2.9912	3.6223	1.9676	2.0560
H9	2.4938	1.2514	2.6981	1.4503	3.3265	1.9783	3.2683	2.7032		1.8370	2.9912	3.6223	1.9676	2.0560
H10	2.4938	1.2514	1.4503	2.6981	3.3265	1.9783	2.7032	3.2683	1.8370		1.9676	2.0560	2.9912	3.6223
H11	2.6150	2.6150	1.1637	3.0233	3.6467	3.6467	1.9676	2.9912	2.9912	1.9676		2.0197	2.7631	4.1781
H12	2.5884	2.5884	1.1605	3.8717	3.0813	3.0813	2.0560	3.6223	3.6223	2.0560	2.0197		4.1781	4.8414
H13	2.6150	2.6150	3.0233	1.1637	3.6467	3.6467	2.9912	1.9676	1.9676	2.9912	2.7631	4.1781		2.0197
H14	2.5884	2.5884	3.8717	1.1605	3.0813	3.0813	3.6223	2.0560	2.0560	3.6223	4.1781	4.8414	2.0197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.637	B1	B2	B4	62.637
B1	B2	H6	113.594	B1	B2	H9	113.100
B1	B2	H10	113.100	B1	B3	B2	54.725
B1	B3	H7	41.886	B1	B3	H10	96.443
B1	B3	H11	116.989	B1	B3	H12	115.146
B1	B4	B2	54.725	B1	B4	H8	41.886
B1	B4	H9	96.443	B1	B4	H13	116.989
B1	B4	H14	115.146	B1	H7	B3	87.422
B1	H8	B4	87.422	B2	B1	B3	62.637
B2	B1	B4	62.637	B2	B1	H5	113.594
B2	B1	H7	113.100	B2	B1	H8	113.100
B2	B3	H7	96.443	B2	B3	H10	41.886
B2	B3	H11	116.989	B2	B3	H12	115.146
B2	B4	H8	96.443	B2	B4	H9	41.886
B2	B4	H13	116.989	B2	B4	H14	115.146
B2	H9	B4	87.422	B2	H10	B3	87.422
B3	B1	B4	97.612	B3	B1	H5	128.043
B3	B1	H7	50.692	B3	B1	H8	118.105
B3	B2	B4	97.612	B3	B2	H6	128.043
B3	B2	H9	118.105	B3	B2	H10	50.692
B4	B1	H5	128.043	B4	B1	H7	118.105
B4	B1	H8	50.692	B4	B2	H6	128.043
B4	B2	H9	50.692	B4	B2	H10	118.105
H5	B1	H7	110.550	H5	B1	H8	110.550
H6	B2	H9	110.550	H6	B2	H10	110.550
H7	B1	H8	94.438	H7	B3	H10	137.483
H7	B3	H11	97.043	H7	B3	H12	103.348
H8	B4	H9	137.483	H8	B4	H13	97.043
H8	B4	H14	103.348	H9	B2	H10	94.438
H9	B4	H13	97.043	H9	B4	H14	103.348
H10	B3	H11	97.043	H10	B3	H12	103.348
H11	B3	H12	120.685	H13	B4	H14	120.685

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

using model chemistry: M06-2X/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	-0.102
2	B	-0.102
3	B	0.011
4	B	0.011
5	H	0.003
6	H	0.003
7	H	0.058
8	H	0.058
9	H	0.058
10	H	0.058
11	H	-0.015
12	H	-0.013
13	H	-0.015
14	H	-0.013

<r²>	89.641
(<r²>)^1/2	9.468

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

using model chemistry: M06-2X/STO-3G

States and conformations

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