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	hartrees
Energy at 0K	-104.733595
Energy at 298.15K	-104.744551
HF Energy	-104.733595
Nuclear repulsion energy	105.675584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2657	2617	49.06
2	A₁	2619	2579	28.67
3	A₁	2522	2484	47.30
4	A₁	2174	2141	0.40
5	A₁	1576	1552	1.87
6	A₁	1117	1100	2.37
7	A₁	952	938	3.87
8	A₁	844	832	8.34
9	A₁	787	775	0.08
10	A₁	647	637	1.76
11	A₁	618	609	3.03
12	A₁	199	196	10.60
13	A₂	2233	2199	0.00
14	A₂	1499	1477	0.00
15	A₂	1030	1014	0.00
16	A₂	973	958	0.00
17	A₂	909	896	0.00
18	A₂	722	711	0.00
19	A₂	413	407	0.00
20	B₁	2651	2612	24.38
21	B₁	2203	2170	13.36
22	B₁	1519	1496	14.65
23	B₁	1031	1016	5.77
24	B₁	960	946	19.80
25	B₁	880	867	15.15
26	B₁	700	689	5.83
27	B₁	602	593	6.40
28	B₂	2622	2582	80.64
29	B₂	2521	2484	52.32
30	B₂	2206	2173	39.96
31	B₂	1346	1326	8.42
32	B₂	1105	1088	11.38
33	B₂	896	882	15.54
34	B₂	840	828	0.18
35	B₂	631	622	5.44
36	B₂	333	328	2.35

Atom	x (Å)	y (Å)	z (Å)
B1	-0.845	0.000	-0.465
B2	0.845	0.000	-0.465
B3	0.000	1.360	0.379
B4	0.000	-1.360	0.379
H5	-1.372	0.000	-1.537
H6	1.372	0.000	-1.537
H7	-1.320	0.912	0.281
H8	-1.320	-0.912	0.281
H9	1.320	-0.912	0.281
H10	1.320	0.912	0.281
H11	0.000	1.364	1.588
H12	0.000	2.423	-0.182
H13	0.000	-1.364	1.588
H14	0.000	-2.423	-0.182

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.6890	1.8099	1.8099	1.1943	2.4617	1.2703	1.2703	2.4641	2.4641	2.6061	2.5812	2.6061	2.5812
B2	1.6890		1.8099	1.8099	2.4617	1.1943	2.4641	2.4641	1.2703	1.2703	2.6061	2.5812	2.6061	2.5812
B3	1.8099	1.8099		2.7200	2.7207	2.7207	1.3971	2.6293	2.6293	1.3971	1.2093	1.2014	2.9806	3.8239
B4	1.8099	1.8099	2.7200		2.7207	2.7207	2.6293	1.3971	1.3971	2.6293	2.9806	3.8239	1.2093	1.2014
H5	1.1943	2.4617	2.7207	2.7207		2.7431	2.0343	2.0343	3.3732	3.3732	3.6756	3.0964	3.6756	3.0964
H6	2.4617	1.1943	2.7207	2.7207	2.7431		3.3732	3.3732	2.0343	2.0343	3.6756	3.0964	3.6756	3.0964
H7	1.2703	2.4641	1.3971	2.6293	2.0343	3.3732		1.8239	3.2082	2.6393	1.9121	2.0584	2.9381	3.6158
H8	1.2703	2.4641	2.6293	1.3971	2.0343	3.3732	1.8239		2.6393	3.2082	2.9381	3.6158	1.9121	2.0584
H9	2.4641	1.2703	2.6293	1.3971	3.3732	2.0343	3.2082	2.6393		1.8239	2.9381	3.6158	1.9121	2.0584
H10	2.4641	1.2703	1.3971	2.6293	3.3732	2.0343	2.6393	3.2082	1.8239		1.9121	2.0584	2.9381	3.6158
H11	2.6061	2.6061	1.2093	2.9806	3.6756	3.6756	1.9121	2.9381	2.9381	1.9121		2.0621	2.7285	4.1800
H12	2.5812	2.5812	1.2014	3.8239	3.0964	3.0964	2.0584	3.6158	3.6158	2.0584	2.0621		4.1800	4.8452
H13	2.6061	2.6061	2.9806	1.2093	3.6756	3.6756	2.9381	1.9121	1.9121	2.9381	2.7285	4.1800		2.0621
H14	2.5812	2.5812	3.8239	1.2014	3.0964	3.0964	3.6158	2.0584	2.0584	3.6158	4.1800	4.8452	2.0621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.185	B1	B2	B4	62.185
B1	B2	H6	116.186	B1	B2	H9	111.963
B1	B2	H10	111.963	B1	B3	B2	55.630
B1	B3	H7	44.391	B1	B3	H10	99.608
B1	B3	H11	117.976	B1	B3	H12	116.550
B1	B4	B2	55.630	B1	B4	H8	44.391
B1	B4	H9	99.608	B1	B4	H13	117.976
B1	B4	H14	116.550	B1	H7	B3	85.314
B1	H8	B4	85.314	B2	B1	B3	62.185
B2	B1	B4	62.185	B2	B1	H5	116.186
B2	B1	H7	111.963	B2	B1	H8	111.963
B2	B3	H7	99.608	B2	B3	H10	44.391
B2	B3	H11	117.976	B2	B3	H12	116.550
B2	B4	H8	99.608	B2	B4	H9	44.391
B2	B4	H13	117.976	B2	B4	H14	116.550
B2	H9	B4	85.314	B2	H10	B3	85.314
B3	B1	B4	97.431	B3	B1	H5	128.647
B3	B1	H7	50.296	B3	B1	H8	116.108
B3	B2	B4	97.431	B3	B2	H6	128.647
B3	B2	H9	116.108	B3	B2	H10	50.296
B4	B1	H5	128.647	B4	B1	H7	116.108
B4	B1	H8	50.296	B4	B2	H6	128.647
B4	B2	H9	50.296	B4	B2	H10	116.108
H5	B1	H7	111.214	H5	B1	H8	111.214
H6	B2	H9	111.214	H6	B2	H10	111.214
H7	B1	H8	91.760	H7	B3	H10	141.663
H7	B3	H11	94.102	H7	B3	H12	104.525
H8	B4	H9	141.663	H8	B4	H13	94.102
H8	B4	H14	104.525	H9	B2	H10	91.760
H9	B4	H13	94.102	H9	B4	H14	104.525
H10	B3	H11	94.102	H10	B3	H12	104.525
H11	B3	H12	117.613	H13	B4	H14	117.613

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

using model chemistry: LSDA/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	-0.134
2	B	-0.134
3	B	-0.369
4	B	-0.369
5	H	0.089
6	H	0.089
7	H	0.136
8	H	0.136
9	H	0.136
10	H	0.136
11	H	0.071
12	H	0.071
13	H	0.071
14	H	0.071

<r²>	88.964
(<r²>)^1/2	9.432

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

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

States and conformations

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