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	hartrees
Energy at 0K	-105.239940
Energy at 298.15K	-105.250989
HF Energy	-105.239940
Nuclear repulsion energy	104.784222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2686	2578	84.54
2	A₁	2659	2552	38.09
3	A₁	2570	2466	50.46
4	A₁	2225	2136	6.94
5	A₁	1575	1511	7.22
6	A₁	1163	1116	6.98
7	A₁	992	952	5.38
8	A₁	859	825	1.19
9	A₁	810	777	0.55
10	A₁	674	647	0.35
11	A₁	595	571	0.25
12	A₁	209	200	8.28
13	A₂	2269	2177	0.00
14	A₂	1471	1412	0.00
15	A₂	1078	1035	0.00
16	A₂	1022	981	0.00
17	A₂	922	885	0.00
18	A₂	705	677	0.00
19	A₂	413	397	0.00
20	B₁	2678	2570	31.40
21	B₁	2234	2144	11.80
22	B₁	1522	1460	33.35
23	B₁	1089	1045	11.81
24	B₁	1008	968	34.93
25	B₁	917	880	11.44
26	B₁	749	719	2.25
27	B₁	591	567	14.95
28	B₂	2661	2553	81.61
29	B₂	2566	2463	71.53
30	B₂	2252	2161	92.27
31	B₂	1327	1273	4.70
32	B₂	1148	1102	28.16
33	B₂	928	890	20.77
34	B₂	878	843	18.05
35	B₂	557	534	7.98
36	B₂	352	338	2.52

Atom	x (Å)	y (Å)	z (Å)
B1	-0.856	0.000	-0.460
B2	0.856	0.000	-0.460
B3	0.000	1.392	0.384
B4	0.000	-1.392	0.384
H5	-1.372	0.000	-1.529
H6	1.372	0.000	-1.529
H7	-1.328	0.913	0.274
H8	-1.328	-0.913	0.274
H9	1.328	-0.913	0.274
H10	1.328	0.913	0.274
H11	0.000	1.430	1.581
H12	0.000	2.422	-0.218
H13	0.000	-1.430	1.581
H14	0.000	-2.422	-0.218

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7125	1.8394	1.8394	1.1863	2.4708	1.2633	1.2633	2.4790	2.4790	2.6354	2.5798	2.6354	2.5798
B2	1.7125		1.8394	1.8394	2.4708	1.1863	2.4790	2.4790	1.2633	1.2633	2.6354	2.5798	2.6354	2.5798
B3	1.8394	1.8394		2.7844	2.7343	2.7343	1.4165	2.6627	2.6627	1.4165	1.1984	1.1924	3.0655	3.8609
B4	1.8394	1.8394	2.7844		2.7343	2.7343	2.6627	1.4165	1.4165	2.6627	3.0655	3.8609	1.1984	1.1924
H5	1.1863	2.4708	2.7343	2.7343		2.7431	2.0215	2.0215	3.3726	3.3726	3.6876	3.0761	3.6876	3.0761
H6	2.4708	1.1863	2.7343	2.7343	2.7431		3.3726	3.3726	2.0215	2.0215	3.6876	3.0761	3.6876	3.0761
H7	1.2633	2.4790	1.4165	2.6627	2.0215	3.3726		1.8256	3.2236	2.6568	1.9339	2.0697	2.9933	3.6229
H8	1.2633	2.4790	2.6627	1.4165	2.0215	3.3726	1.8256		2.6568	3.2236	2.9933	3.6229	1.9339	2.0697
H9	2.4790	1.2633	2.6627	1.4165	3.3726	2.0215	3.2236	2.6568		1.8256	2.9933	3.6229	1.9339	2.0697
H10	2.4790	1.2633	1.4165	2.6627	3.3726	2.0215	2.6568	3.2236	1.8256		1.9339	2.0697	2.9933	3.6229
H11	2.6354	2.6354	1.1984	3.0655	3.6876	3.6876	1.9339	2.9933	2.9933	1.9339		2.0550	2.8592	4.2509
H12	2.5798	2.5798	1.1924	3.8609	3.0761	3.0761	2.0697	3.6229	3.6229	2.0697	2.0550		4.2509	4.8431
H13	2.6354	2.6354	3.0655	1.1984	3.6876	3.6876	2.9933	1.9339	1.9339	2.9933	2.8592	4.2509		2.0550
H14	2.5798	2.5798	3.8609	1.1924	3.0761	3.0761	3.6229	2.0697	2.0697	3.6229	4.2509	4.8431	2.0550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.258	B1	B2	B4	62.258
B1	B2	H6	115.747	B1	B2	H9	111.948
B1	B2	H10	111.948	B1	B3	B2	55.485
B1	B3	H7	43.275	B1	B3	H10	98.339
B1	B3	H11	118.826	B1	B3	H12	114.947
B1	B4	B2	55.485	B1	B4	H8	43.275
B1	B4	H9	98.339	B1	B4	H13	118.826
B1	B4	H14	114.947	B1	H7	B3	86.494
B1	H8	B4	86.494	B2	B1	B3	62.258
B2	B1	B4	62.258	B2	B1	H5	115.747
B2	B1	H7	111.948	B2	B1	H8	111.948
B2	B3	H7	98.339	B2	B3	H10	43.275
B2	B3	H11	118.826	B2	B3	H12	114.947
B2	B4	H8	98.339	B2	B4	H9	43.275
B2	B4	H13	118.826	B2	B4	H14	114.947
B2	H9	B4	86.494	B2	H10	B3	86.494
B3	B1	B4	98.379	B3	B1	H5	127.982
B3	B1	H7	50.231	B3	B1	H8	117.009
B3	B2	B4	98.379	B3	B2	H6	127.982
B3	B2	H9	117.009	B3	B2	H10	50.231
B4	B1	H5	127.982	B4	B1	H7	117.009
B4	B1	H8	50.231	B4	B2	H6	127.982
B4	B2	H9	50.231	B4	B2	H10	117.009
H5	B1	H7	111.188	H5	B1	H8	111.188
H6	B2	H9	111.188	H6	B2	H10	111.188
H7	B1	H8	92.537	H7	B3	H10	139.379
H7	B3	H11	95.027	H7	B3	H12	104.668
H8	B4	H9	139.379	H8	B4	H13	95.027
H8	B4	H14	104.668	H9	B2	H10	92.537
H9	B4	H13	95.027	H9	B4	H14	104.668
H10	B3	H11	95.027	H10	B3	H12	104.668
H11	B3	H12	118.531	H13	B4	H14	118.531

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.437
2	B	-0.437
3	B	-0.531
4	B	-0.531
5	H	0.149
6	H	0.149
7	H	0.259
8	H	0.259
9	H	0.259
10	H	0.259
11	H	0.165
12	H	0.137
13	H	0.165
14	H	0.137

<r²>	90.441
(<r²>)^1/2	9.510

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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