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	hartrees
Energy at 0K	-104.478360
Energy at 298.15K	-104.489316
HF Energy	-104.478360
Nuclear repulsion energy	103.358579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2793	2529	185.61
2	A₁	2781	2518	0.03
3	A₁	2698	2443	60.27
4	A₁	2345	2123	48.47
5	A₁	1651	1495	19.10
6	A₁	1271	1151	20.50
7	A₁	1111	1006	0.32
8	A₁	905	819	3.43
9	A₁	813	736	0.21
10	A₁	708	641	2.04
11	A₁	529	479	0.00
12	A₁	225	204	5.37
13	A₂	2351	2129	0.00
14	A₂	1541	1395	0.00
15	A₂	1172	1061	0.00
16	A₂	1106	1001	0.00
17	A₂	938	849	0.00
18	A₂	648	587	0.00
19	A₂	423	383	0.00
20	B₁	2777	2514	42.20
21	B₁	2323	2104	14.34
22	B₁	1630	1476	98.04
23	B₁	1200	1087	18.22
24	B₁	1093	990	102.94
25	B₁	971	879	20.64
26	B₁	840	761	0.02
27	B₁	566	512	43.50
28	B₂	2785	2522	80.54
29	B₂	2693	2438	102.76
30	B₂	2355	2133	284.09
31	B₂	1395	1263	2.95
32	B₂	1253	1135	72.86
33	B₂	1023	926	17.83
34	B₂	897	812	99.41
35	B₂	409	371	11.86
36	B₂	248	225	0.07

Atom	x (Å)	y (Å)	z (Å)
B1	-0.873	0.000	-0.473
B2	0.873	0.000	-0.473
B3	0.000	1.437	0.407
B4	0.000	-1.437	0.407
H5	-1.382	0.000	-1.537
H6	1.382	0.000	-1.537
H7	-1.321	0.924	0.241
H8	-1.321	-0.924	0.241
H9	1.321	-0.924	0.241
H10	1.321	0.924	0.241
H11	0.000	1.459	1.594
H12	0.000	2.448	-0.208
H13	0.000	-1.459	1.594
H14	0.000	-2.448	-0.208

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7451	1.8972	1.8972	1.1795	2.4930	1.2509	1.2509	2.4849	2.4849	2.6760	2.6127	2.6760	2.6127
B2	1.7451		1.8972	1.8972	2.4930	1.1795	2.4849	2.4849	1.2509	1.2509	2.6760	2.6127	2.6760	2.6127
B3	1.8972	1.8972		2.8733	2.7842	2.7842	1.4264	2.7102	2.7102	1.4264	1.1872	1.1838	3.1292	3.9333
B4	1.8972	1.8972	2.8733		2.7842	2.7842	2.7102	1.4264	1.4264	2.7102	3.1292	3.9333	1.1872	1.1838
H5	1.1795	2.4930	2.7842	2.7842		2.7643	2.0046	2.0046	3.3646	3.3646	3.7200	3.1098	3.7200	3.1098
H6	2.4930	1.1795	2.7842	2.7842	2.7643		3.3646	3.3646	2.0046	2.0046	3.7200	3.1098	3.7200	3.1098
H7	1.2509	2.4849	1.4264	2.7102	2.0046	3.3646		1.8484	3.2240	2.6415	1.9647	2.0662	3.0418	3.6496
H8	1.2509	2.4849	2.7102	1.4264	2.0046	3.3646	1.8484		2.6415	3.2240	3.0418	3.6496	1.9647	2.0662
H9	2.4849	1.2509	2.7102	1.4264	3.3646	2.0046	3.2240	2.6415		1.8484	3.0418	3.6496	1.9647	2.0662
H10	2.4849	1.2509	1.4264	2.7102	3.3646	2.0046	2.6415	3.2240	1.8484		1.9647	2.0662	3.0418	3.6496
H11	2.6760	2.6760	1.1872	3.1292	3.7200	3.7200	1.9647	3.0418	3.0418	1.9647		2.0556	2.9174	4.3025
H12	2.6127	2.6127	1.1838	3.9333	3.1098	3.1098	2.0662	3.6496	3.6496	2.0662	2.0556		4.3025	4.8967
H13	2.6760	2.6760	3.1292	1.1872	3.7200	3.7200	3.0418	1.9647	1.9647	3.0418	2.9174	4.3025		2.0556
H14	2.6127	2.6127	3.9333	1.1838	3.1098	3.1098	3.6496	2.0662	2.0662	3.6496	4.3025	4.8967	2.0556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.618	B1	B2	B4	62.618
B1	B2	H6	115.598	B1	B2	H9	110.996
B1	B2	H10	110.996	B1	B3	B2	54.764
B1	B3	H7	41.250	B1	B3	H10	95.733
B1	B3	H11	118.540	B1	B3	H12	113.975
B1	B4	B2	54.764	B1	B4	H8	41.250
B1	B4	H9	95.733	B1	B4	H13	118.540
B1	B4	H14	113.975	B1	H7	B3	90.001
B1	H8	B4	90.001	B2	B1	B3	62.618
B2	B1	B4	62.618	B2	B1	H5	115.598
B2	B1	H7	110.996	B2	B1	H8	110.996
B2	B3	H7	95.733	B2	B3	H10	41.250
B2	B3	H11	118.540	B2	B3	H12	113.975
B2	B4	H8	95.733	B2	B4	H9	41.250
B2	B4	H13	118.540	B2	B4	H14	113.975
B2	H9	B4	90.001	B2	H10	B3	90.001
B3	B1	B4	98.443	B3	B1	H5	128.093
B3	B1	H7	48.749	B3	B1	H8	117.357
B3	B2	B4	98.443	B3	B2	H6	128.093
B3	B2	H9	117.357	B3	B2	H10	48.749
B4	B1	H5	128.093	B4	B1	H7	117.357
B4	B1	H8	48.749	B4	B2	H6	128.093
B4	B2	H9	48.749	B4	B2	H10	117.357
H5	B1	H7	111.098	H5	B1	H8	111.098
H6	B2	H9	111.098	H6	B2	H10	111.098
H7	B1	H8	95.259	H7	B3	H10	135.628
H7	B3	H11	97.061	H7	B3	H12	104.281
H8	B4	H9	135.628	H8	B4	H13	97.061
H8	B4	H14	104.281	H9	B2	H10	95.259
H9	B4	H13	97.061	H9	B4	H14	104.281
H10	B3	H11	97.061	H10	B3	H12	104.281
H11	B3	H12	120.216	H13	B4	H14	120.216

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

using model chemistry: HF/6-31G(2df,p)

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	-0.186
2	B	-0.186
3	B	-0.059
4	B	-0.059
5	H	0.006
6	H	0.006
7	H	0.123
8	H	0.123
9	H	0.123
10	H	0.123
11	H	-0.002
12	H	-0.006
13	H	-0.002
14	H	-0.006

<r²>	92.935
(<r²>)^1/2	9.640

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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