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	hartrees
Energy at 0K	-104.470437
Energy at 298.15K	-104.481484
HF Energy	-104.470437
Nuclear repulsion energy	103.557048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2807	2533	205.65
2	A₁	2793	2521	0.84
3	A₁	2713	2448	63.29
4	A₁	2371	2140	51.24
5	A₁	1666	1504	19.82
6	A₁	1275	1151	20.54
7	A₁	1123	1014	0.01
8	A₁	914	825	3.76
9	A₁	827	747	0.25
10	A₁	716	646	2.97
11	A₁	537	485	0.01
12	A₁	230	208	5.19
13	A₂	2378	2147	0.00
14	A₂	1557	1406	0.00
15	A₂	1185	1070	0.00
16	A₂	1111	1003	0.00
17	A₂	947	855	0.00
18	A₂	658	594	0.00
19	A₂	436	393	0.00
20	B₁	2789	2518	44.60
21	B₁	2351	2122	10.96
22	B₁	1647	1486	111.67
23	B₁	1213	1095	15.30
24	B₁	1100	993	97.91
25	B₁	977	882	19.53
26	B₁	847	764	0.00
27	B₁	575	519	44.86
28	B₂	2799	2527	89.00
29	B₂	2707	2444	100.24
30	B₂	2382	2150	293.76
31	B₂	1405	1268	2.26
32	B₂	1256	1134	76.31
33	B₂	1035	934	22.59
34	B₂	907	819	100.47
35	B₂	424	383	11.88
36	B₂	273	246	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	-0.870	0.000	-0.472
B2	0.870	0.000	-0.472
B3	0.000	1.434	0.405
B4	0.000	-1.434	0.405
H5	-1.384	0.000	-1.534
H6	1.384	0.000	-1.534
H7	-1.316	0.921	0.242
H8	-1.316	-0.921	0.242
H9	1.316	-0.921	0.242
H10	1.316	0.921	0.242
H11	0.000	1.459	1.593
H12	0.000	2.446	-0.209
H13	0.000	-1.459	1.593
H14	0.000	-2.446	-0.209

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7394	1.8927	1.8927	1.1801	2.4912	1.2482	1.2482	2.4768	2.4768	2.6735	2.6090	2.6735	2.6090
B2	1.7394		1.8927	1.8927	2.4912	1.1801	2.4768	2.4768	1.2482	1.2482	2.6735	2.6090	2.6735	2.6090
B3	1.8927	1.8927		2.8676	2.7809	2.7809	1.4213	2.7027	2.7027	1.4213	1.1875	1.1840	3.1268	3.9279
B4	1.8927	1.8927	2.8676		2.7809	2.7809	2.7027	1.4213	1.4213	2.7027	3.1268	3.9279	1.1875	1.1840
H5	1.1801	2.4912	2.7809	2.7809		2.7674	2.0024	2.0024	3.3603	3.3603	3.7177	3.1068	3.7177	3.1068
H6	2.4912	1.1801	2.7809	2.7809	2.7674		3.3603	3.3603	2.0024	2.0024	3.7177	3.1068	3.7177	3.1068
H7	1.2482	2.4768	1.4213	2.7027	2.0024	3.3603		1.8428	3.2124	2.6313	1.9605	2.0636	3.0365	3.6431
H8	1.2482	2.4768	2.7027	1.4213	2.0024	3.3603	1.8428		2.6313	3.2124	3.0365	3.6431	1.9605	2.0636
H9	2.4768	1.2482	2.7027	1.4213	3.3603	2.0024	3.2124	2.6313		1.8428	3.0365	3.6431	1.9605	2.0636
H10	2.4768	1.2482	1.4213	2.7027	3.3603	2.0024	2.6313	3.2124	1.8428		1.9605	2.0636	3.0365	3.6431
H11	2.6735	2.6735	1.1875	3.1268	3.7177	3.7177	1.9605	3.0365	3.0365	1.9605		2.0545	2.9178	4.3004
H12	2.6090	2.6090	1.1840	3.9279	3.1068	3.1068	2.0636	3.6431	3.6431	2.0636	2.0545		4.3004	4.8915
H13	2.6735	2.6735	3.1268	1.1875	3.7177	3.7177	3.0365	1.9605	1.9605	3.0365	2.9178	4.3004		2.0545
H14	2.6090	2.6090	3.9279	1.1840	3.1068	3.1068	3.6431	2.0636	2.0636	3.6431	4.3004	4.8915	2.0545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.645	B1	B2	B4	62.645
B1	B2	H6	115.823	B1	B2	H9	110.934
B1	B2	H10	110.934	B1	B3	B2	54.709
B1	B3	H7	41.260	B1	B3	H10	95.678
B1	B3	H11	118.657	B1	B3	H12	113.999
B1	B4	B2	54.709	B1	B4	H8	41.260
B1	B4	H9	95.678	B1	B4	H13	118.657
B1	B4	H14	113.999	B1	H7	B3	90.067
B1	H8	B4	90.067	B2	B1	B3	62.645
B2	B1	B4	62.645	B2	B1	H5	115.823
B2	B1	H7	110.934	B2	B1	H8	110.934
B2	B3	H7	95.678	B2	B3	H10	41.260
B2	B3	H11	118.657	B2	B3	H12	113.999
B2	B4	H8	95.678	B2	B4	H9	41.260
B2	B4	H13	118.657	B2	B4	H14	113.999
B2	H9	B4	90.067	B2	H10	B3	90.067
B3	B1	B4	98.497	B3	B1	H5	128.135
B3	B1	H7	48.673	B3	B1	H8	117.264
B3	B2	B4	98.497	B3	B2	H6	128.135
B3	B2	H9	117.264	B3	B2	H10	48.673
B4	B1	H5	128.135	B4	B1	H7	117.264
B4	B1	H8	48.673	B4	B2	H6	128.135
B4	B2	H9	48.673	B4	B2	H10	117.264
H5	B1	H7	111.065	H5	B1	H8	111.065
H6	B2	H9	111.065	H6	B2	H10	111.065
H7	B1	H8	95.157	H7	B3	H10	135.532
H7	B3	H11	97.038	H7	B3	H12	104.385
H8	B4	H9	135.532	H8	B4	H13	97.038
H8	B4	H14	104.385	H9	B2	H10	95.157
H9	B4	H13	97.038	H9	B4	H14	104.385
H10	B3	H11	97.038	H10	B3	H12	104.385
H11	B3	H12	120.067	H13	B4	H14	120.067

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

using model chemistry: HF/6-31G**

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	-0.063
2	B	-0.063
3	B	0.094
4	B	0.094
5	H	-0.006
6	H	-0.006
7	H	0.022
8	H	0.022
9	H	0.022
10	H	0.022
11	H	-0.034
12	H	-0.035
13	H	-0.034
14	H	-0.035

<r²>	92.802
(<r²>)^1/2	9.633

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

using model chemistry: HF/6-31G**

States and conformations

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