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	hartrees
Energy at 0K	-103.847401
Energy at 298.15K	-103.858119
HF Energy	-103.784575
Nuclear repulsion energy	103.685292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3198	0.32
2	A₁	3153	3153	0.05
3	A₁	3043	3043	1.32
4	A₁	2460	2460	13.98
5	A₁	1668	1668	20.99
6	A₁	1341	1341	16.86
7	A₁	1186	1186	6.08
8	A₁	958	958	2.44
9	A₁	883	883	0.93
10	A₁	774	774	0.00
11	A₁	571	571	0.00
12	A₁	240	240	8.29
13	A₂	2499	2499	0.00
14	A₂	1516	1516	0.00
15	A₂	1219	1219	0.00
16	A₂	1160	1160	0.00
17	A₂	926	926	0.00
18	A₂	694	694	0.00
19	A₂	436	436	0.00
20	B₁	3151	3151	0.01
21	B₁	2461	2461	126.90
22	B₁	1610	1610	24.69
23	B₁	1266	1266	11.77
24	B₁	1143	1143	98.08
25	B₁	1030	1030	39.23
26	B₁	841	841	0.74
27	B₁	604	604	32.39
28	B₂	3198	3198	1.08
29	B₂	3043	3043	5.86
30	B₂	2501	2501	81.97
31	B₂	1439	1439	0.81
32	B₂	1326	1326	61.62
33	B₂	1043	1043	10.30
34	B₂	940	940	107.41
35	B₂	471	471	11.66
36	B₂	283	283	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	-0.864	0.000	-0.475
B2	0.864	0.000	-0.475
B3	0.000	1.433	0.412
B4	0.000	-1.433	0.412
H5	-1.336	0.000	-1.534
H6	1.336	0.000	-1.534
H7	-1.353	0.923	0.221
H8	-1.353	-0.923	0.221
H9	1.353	-0.923	0.221
H10	1.353	0.923	0.221
H11	0.000	1.417	1.579
H12	0.000	2.440	-0.173
H13	0.000	-1.417	1.579
H14	0.000	-2.440	-0.173

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7282	1.8933	1.8933	1.1594	2.4414	1.2557	1.2557	2.5009	2.5009	2.6411	2.6061	2.6411	2.6061
B2	1.7282		1.8933	1.8933	2.4414	1.1594	2.5009	2.5009	1.2557	1.2557	2.6411	2.6061	2.6411	2.6061
B3	1.8933	1.8933		2.8652	2.7607	2.7607	1.4584	2.7238	2.7238	1.4584	1.1679	1.1647	3.0799	3.9165
B4	1.8933	1.8933	2.8652		2.7607	2.7607	2.7238	1.4584	1.4584	2.7238	3.0799	3.9165	1.1679	1.1647
H5	1.1594	2.4414	2.7607	2.7607		2.6710	1.9836	1.9836	3.3413	3.3413	3.6723	3.0968	3.6723	3.0968
H6	2.4414	1.1594	2.7607	2.7607	2.6710		3.3413	3.3413	1.9836	1.9836	3.6723	3.0968	3.6723	3.0968
H7	1.2557	2.5009	1.4584	2.7238	1.9836	3.3413		1.8470	3.2769	2.7068	1.9799	2.0705	3.0258	3.6470
H8	1.2557	2.5009	2.7238	1.4584	1.9836	3.3413	1.8470		2.7068	3.2769	3.0258	3.6470	1.9799	2.0705
H9	2.5009	1.2557	2.7238	1.4584	3.3413	1.9836	3.2769	2.7068		1.8470	3.0258	3.6470	1.9799	2.0705
H10	2.5009	1.2557	1.4584	2.7238	3.3413	1.9836	2.7068	3.2769	1.8470		1.9799	2.0705	3.0258	3.6470
H11	2.6411	2.6411	1.1679	3.0799	3.6723	3.6723	1.9799	3.0258	3.0258	1.9799		2.0288	2.8347	4.2367
H12	2.6061	2.6061	1.1647	3.9165	3.0968	3.0968	2.0705	3.6470	3.6470	2.0705	2.0288		4.2367	4.8801
H13	2.6411	2.6411	3.0799	1.1679	3.6723	3.6723	3.0258	1.9799	1.9799	3.0258	2.8347	4.2367		2.0288
H14	2.6061	2.6061	3.9165	1.1647	3.0968	3.0968	3.6470	2.0705	2.0705	3.6470	4.2367	4.8801	2.0288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.845	B1	B2	B4	62.845
B1	B2	H6	113.990	B1	B2	H9	112.932
B1	B2	H10	112.932	B1	B3	B2	54.310
B1	B3	H7	41.521	B1	B3	H10	95.643
B1	B3	H11	117.276	B1	B3	H12	114.806
B1	B4	B2	54.310	B1	B4	H8	41.521
B1	B4	H9	95.643	B1	B4	H13	117.276
B1	B4	H14	114.806	B1	H7	B3	88.136
B1	H8	B4	88.136	B2	B1	B3	62.845
B2	B1	B4	62.845	B2	B1	H5	113.990
B2	B1	H7	112.932	B2	B1	H8	112.932
B2	B3	H7	95.643	B2	B3	H10	41.521
B2	B3	H11	117.276	B2	B3	H12	114.806
B2	B4	H8	95.643	B2	B4	H9	41.521
B2	B4	H13	117.276	B2	B4	H14	114.806
B2	H9	B4	88.136	B2	H10	B3	88.136
B3	B1	B4	98.339	B3	B1	H5	127.828
B3	B1	H7	50.344	B3	B1	H8	118.342
B3	B2	B4	98.339	B3	B2	H6	127.828
B3	B2	H9	118.342	B3	B2	H10	50.344
B4	B1	H5	127.828	B4	B1	H7	118.342
B4	B1	H8	50.344	B4	B2	H6	127.828
B4	B2	H9	50.344	B4	B2	H10	118.342
H5	B1	H7	110.370	H5	B1	H8	110.370
H6	B2	H9	110.370	H6	B2	H10	110.370
H7	B1	H8	94.686	H7	B3	H10	136.242
H7	B3	H11	97.233	H7	B3	H12	103.678
H8	B4	H9	136.242	H8	B4	H13	97.233
H8	B4	H14	103.678	H9	B2	H10	94.686
H9	B4	H13	97.233	H9	B4	H14	103.678
H10	B3	H11	97.233	H10	B3	H12	103.678
H11	B3	H12	120.866	H13	B4	H14	120.866

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

using model chemistry: B2PLYP/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	-0.093
2	B	-0.093
3	B	0.040
4	B	0.040
5	H	-0.007
6	H	-0.007
7	H	0.052
8	H	0.052
9	H	0.052
10	H	0.052
11	H	-0.023
12	H	-0.021
13	H	-0.023
14	H	-0.021

<r²>	91.094
(<r²>)^1/2	9.544

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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