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	hartrees
Energy at 0K	-105.393014
Energy at 298.15K	-105.404086
HF Energy	-105.393014
Nuclear repulsion energy	105.007248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2707	2597	70.96
2	A₁	2676	2567	36.18
3	A₁	2588	2482	48.41
4	A₁	2232	2141	6.74
5	A₁	1589	1524	5.90
6	A₁	1172	1124	6.93
7	A₁	984	944	5.72
8	A₁	857	822	0.97
9	A₁	808	775	0.72
10	A₁	672	644	0.37
11	A₁	590	566	0.24
12	A₁	205	197	8.39
13	A₂	2272	2180	0.00
14	A₂	1494	1433	0.00
15	A₂	1069	1026	0.00
16	A₂	1028	986	0.00
17	A₂	921	884	0.00
18	A₂	704	675	0.00
19	A₂	417	400	0.00
20	B₁	2700	2590	29.82
21	B₁	2243	2151	12.46
22	B₁	1542	1479	29.79
23	B₁	1083	1039	17.45
24	B₁	997	956	39.53
25	B₁	916	879	13.58
26	B₁	748	718	2.22
27	B₁	590	566	13.94
28	B₂	2678	2569	75.99
29	B₂	2585	2479	68.23
30	B₂	2255	2163	89.16
31	B₂	1343	1288	4.89
32	B₂	1158	1110	28.26
33	B₂	932	894	24.42
34	B₂	884	848	14.35
35	B₂	547	525	8.37
36	B₂	353	338	2.52

Atom	x (Å)	y (Å)	z (Å)
B1	-0.856	0.000	-0.461
B2	0.856	0.000	-0.461
B3	0.000	1.391	0.384
B4	0.000	-1.391	0.384
H5	-1.368	0.000	-1.527
H6	1.368	0.000	-1.527
H7	-1.319	0.912	0.272
H8	-1.319	-0.912	0.272
H9	1.319	-0.912	0.272
H10	1.319	0.912	0.272
H11	0.000	1.423	1.578
H12	0.000	2.419	-0.212
H13	0.000	-1.423	1.578
H14	0.000	-2.419	-0.212

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7113	1.8387	1.8387	1.1822	2.4656	1.2588	1.2588	2.4698	2.4698	2.6300	2.5778	2.6300	2.5778
B2	1.7113		1.8387	1.8387	2.4656	1.1822	2.4698	2.4698	1.2588	1.2588	2.6300	2.5778	2.6300	2.5778
B3	1.8387	1.8387		2.7812	2.7307	2.7307	1.4079	2.6564	2.6564	1.4079	1.1946	1.1885	3.0565	3.8558
B4	1.8387	1.8387	2.7812		2.7307	2.7307	2.6564	1.4079	1.4079	2.6564	3.0565	3.8558	1.1946	1.1885
H5	1.1822	2.4656	2.7307	2.7307		2.7359	2.0171	2.0171	3.3598	3.3598	3.6793	3.0742	3.6793	3.0742
H6	2.4656	1.1822	2.7307	2.7307	2.7359		3.3598	3.3598	2.0171	2.0171	3.6793	3.0742	3.6793	3.0742
H7	1.2588	2.4698	1.4079	2.6564	2.0171	3.3598		1.8244	3.2080	2.6388	1.9258	2.0602	2.9834	3.6153
H8	1.2588	2.4698	2.6564	1.4079	2.0171	3.3598	1.8244		2.6388	3.2080	2.9834	3.6153	1.9258	2.0602
H9	2.4698	1.2588	2.6564	1.4079	3.3598	2.0171	3.2080	2.6388		1.8244	2.9834	3.6153	1.9258	2.0602
H10	2.4698	1.2588	1.4079	2.6564	3.3598	2.0171	2.6388	3.2080	1.8244		1.9258	2.0602	2.9834	3.6153
H11	2.6300	2.6300	1.1946	3.0565	3.6793	3.6793	1.9258	2.9834	2.9834	1.9258		2.0485	2.8459	4.2384
H12	2.5778	2.5778	1.1885	3.8558	3.0742	3.0742	2.0602	3.6153	3.6153	2.0602	2.0485		4.2384	4.8377
H13	2.6300	2.6300	3.0565	1.1946	3.6793	3.6793	2.9834	1.9258	1.9258	2.9834	2.8459	4.2384		2.0485
H14	2.5778	2.5778	3.8558	1.1885	3.0742	3.0742	3.6153	2.0602	2.0602	3.6153	4.2384	4.8377	2.0485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.267	B1	B2	B4	62.267
B1	B2	H6	115.682	B1	B2	H9	111.618
B1	B2	H10	111.618	B1	B3	B2	55.466
B1	B3	H7	43.131	B1	B3	H10	98.185
B1	B3	H11	118.697	B1	B3	H12	115.069
B1	B4	B2	55.466	B1	B4	H8	43.131
B1	B4	H9	98.185	B1	B4	H13	118.697
B1	B4	H14	115.069	B1	H7	B3	86.991
B1	H8	B4	86.991	B2	B1	B3	62.267
B2	B1	B4	62.267	B2	B1	H5	115.682
B2	B1	H7	111.618	B2	B1	H8	111.618
B2	B3	H7	98.185	B2	B3	H10	43.131
B2	B3	H11	118.697	B2	B3	H12	115.069
B2	B4	H8	98.185	B2	B4	H9	43.131
B2	B4	H13	118.697	B2	B4	H14	115.069
B2	H9	B4	86.991	B2	H10	B3	86.991
B3	B1	B4	98.278	B3	B1	H5	128.031
B3	B1	H7	49.878	B3	B1	H8	116.854
B3	B2	B4	98.278	B3	B2	H6	128.031
B3	B2	H9	116.854	B3	B2	H10	49.878
B4	B1	H5	128.031	B4	B1	H7	116.854
B4	B1	H8	49.878	B4	B2	H6	128.031
B4	B2	H9	49.878	B4	B2	H10	116.854
H5	B1	H7	111.417	H5	B1	H8	111.417
H6	B2	H9	111.417	H6	B2	H10	111.417
H7	B1	H8	92.883	H7	B3	H10	139.142
H7	B3	H11	95.110	H7	B3	H12	104.709
H8	B4	H9	139.142	H8	B4	H13	95.110
H8	B4	H14	104.709	H9	B2	H10	92.883
H9	B4	H13	95.110	H9	B4	H14	104.709
H10	B3	H11	95.110	H10	B3	H12	104.709
H11	B3	H12	118.546	H13	B4	H14	118.546

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

using model chemistry: mPW1PW91/cc-pVTZ

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	-0.205
2	B	-0.205
3	B	-0.308
4	B	-0.308
5	H	0.062
6	H	0.062
7	H	0.146
8	H	0.146
9	H	0.146
10	H	0.146
11	H	0.095
12	H	0.062
13	H	0.095
14	H	0.062

<r²>	90.020
(<r²>)^1/2	9.488

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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