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	hartrees
Energy at 0K	-104.468304
Energy at 298.15K	-104.479267
HF Energy	-104.468304
Nuclear repulsion energy	102.973218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2774	2526	211.00
2	A₁	2758	2512	4.32
3	A₁	2676	2437	65.53
4	A₁	2336	2127	51.03
5	A₁	1642	1495	20.51
6	A₁	1257	1144	20.57
7	A₁	1094	997	0.33
8	A₁	902	822	2.86
9	A₁	815	742	0.23
10	A₁	704	641	1.88
11	A₁	527	480	0.01
12	A₁	227	207	5.26
13	A₂	2340	2131	0.00
14	A₂	1536	1398	0.00
15	A₂	1154	1051	0.00
16	A₂	1091	993	0.00
17	A₂	925	842	0.00
18	A₂	649	591	0.00
19	A₂	419	381	0.00
20	B₁	2756	2510	48.58
21	B₁	2314	2107	13.37
22	B₁	1627	1482	94.41
23	B₁	1181	1075	18.00
24	B₁	1077	980	94.26
25	B₁	959	873	20.08
26	B₁	833	758	0.00
27	B₁	564	514	41.05
28	B₂	2762	2515	91.12
29	B₂	2670	2432	105.75
30	B₂	2345	2135	288.29
31	B₂	1383	1259	1.03
32	B₂	1237	1126	74.70
33	B₂	1010	920	19.61
34	B₂	892	812	102.80
35	B₂	409	372	12.20
36	B₂	254	231	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	-0.874	0.000	-0.475
B2	0.874	0.000	-0.475
B3	0.000	1.441	0.408
B4	0.000	-1.441	0.408
H5	-1.386	0.000	-1.545
H6	1.386	0.000	-1.545
H7	-1.325	0.927	0.245
H8	-1.325	-0.927	0.245
H9	1.325	-0.927	0.245
H10	1.325	0.927	0.245
H11	0.000	1.462	1.602
H12	0.000	2.459	-0.211
H13	0.000	-1.462	1.602
H14	0.000	-2.459	-0.211

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7471	1.9028	1.9028	1.1866	2.5001	1.2576	1.2576	2.4925	2.4925	2.6863	2.6231	2.6863	2.6231
B2	1.7471		1.9028	1.9028	2.5001	1.1866	2.4925	2.4925	1.2576	1.2576	2.6863	2.6231	2.6863	2.6231
B3	1.9028	1.9028		2.8828	2.7954	2.7954	1.4310	2.7189	2.7189	1.4310	1.1946	1.1916	3.1392	3.9496
B4	1.9028	1.9028	2.8828		2.7954	2.7954	2.7189	1.4310	1.4310	2.7189	3.1392	3.9496	1.1946	1.1916
H5	1.1866	2.5001	2.7954	2.7954		2.7717	2.0168	2.0168	3.3785	3.3785	3.7371	3.1222	3.7371	3.1222
H6	2.5001	1.1866	2.7954	2.7954	2.7717		3.3785	3.3785	2.0168	2.0168	3.7371	3.1222	3.7371	3.1222
H7	1.2576	2.4925	1.4310	2.7189	2.0168	3.3785		1.8539	3.2346	2.6506	1.9713	2.0767	3.0505	3.6648
H8	1.2576	2.4925	2.7189	1.4310	2.0168	3.3785	1.8539		2.6506	3.2346	3.0505	3.6648	1.9713	2.0767
H9	2.4925	1.2576	2.7189	1.4310	3.3785	2.0168	3.2346	2.6506		1.8539	3.0505	3.6648	1.9713	2.0767
H10	2.4925	1.2576	1.4310	2.7189	3.3785	2.0168	2.6506	3.2346	1.8539		1.9713	2.0767	3.0505	3.6648
H11	2.6863	2.6863	1.1946	3.1392	3.7371	3.7371	1.9713	3.0505	3.0505	1.9713		2.0701	2.9234	4.3202
H12	2.6231	2.6231	1.1916	3.9496	3.1222	3.1222	2.0767	3.6648	3.6648	2.0767	2.0701		4.3202	4.9186
H13	2.6863	2.6863	3.1392	1.1946	3.7371	3.7371	3.0505	1.9713	1.9713	3.0505	2.9234	4.3202		2.0701
H14	2.6231	2.6231	3.9496	1.1916	3.1222	3.1222	3.6648	2.0767	2.0767	3.6648	4.3202	4.9186	2.0701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.672	B1	B2	B4	62.672
B1	B2	H6	115.578	B1	B2	H9	111.052
B1	B2	H10	111.052	B1	B3	B2	54.657
B1	B3	H7	41.368	B1	B3	H10	95.732
B1	B3	H11	118.486	B1	B3	H12	113.940
B1	B4	B2	54.657	B1	B4	H8	41.368
B1	B4	H9	95.732	B1	B4	H13	118.486
B1	B4	H14	113.940	B1	H7	B3	89.865
B1	H8	B4	89.865	B2	B1	B3	62.672
B2	B1	B4	62.672	B2	B1	H5	115.578
B2	B1	H7	111.052	B2	B1	H8	111.052
B2	B3	H7	95.732	B2	B3	H10	41.368
B2	B3	H11	118.486	B2	B3	H12	113.940
B2	B4	H8	95.732	B2	B4	H9	41.368
B2	B4	H13	118.486	B2	B4	H14	113.940
B2	H9	B4	89.865	B2	H10	B3	89.865
B3	B1	B4	98.489	B3	B1	H5	128.088
B3	B1	H7	48.767	B3	B1	H8	117.232
B3	B2	B4	98.489	B3	B2	H6	128.088
B3	B2	H9	117.232	B3	B2	H10	48.767
B4	B1	H5	128.088	B4	B1	H7	117.232
B4	B1	H8	48.767	B4	B2	H6	128.088
B4	B2	H9	48.767	B4	B2	H10	117.232
H5	B1	H7	111.175	H5	B1	H8	111.175
H6	B2	H9	111.175	H6	B2	H10	111.175
H7	B1	H8	94.970	H7	B3	H10	135.681
H7	B3	H11	96.906	H7	B3	H12	104.344
H8	B4	H9	135.681	H8	B4	H13	96.906
H8	B4	H14	104.344	H9	B2	H10	94.970
H9	B4	H13	96.906	H9	B4	H14	104.344
H10	B3	H11	96.906	H10	B3	H12	104.344
H11	B3	H12	120.351	H13	B4	H14	120.351

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

using model chemistry: HF/aug-cc-pVDZ

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	-0.515
2	B	-0.515
3	B	-1.379
4	B	-1.379
5	H	0.330
6	H	0.330
7	H	0.234
8	H	0.234
9	H	0.234
10	H	0.234
11	H	0.589
12	H	0.507
13	H	0.589
14	H	0.507

<r²>	93.789
(<r²>)^1/2	9.684

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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