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	hartrees
Energy at 0K	-105.212366
Energy at 298.15K	-105.223318
HF Energy	-105.212366
Nuclear repulsion energy	104.571413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2640	2610	63.02
2	A₁	2609	2579	33.72
3	A₁	2519	2490	47.04
4	A₁	2157	2133	3.24
5	A₁	1534	1517	3.66
6	A₁	1133	1120	4.88
7	A₁	949	938	7.17
8	A₁	835	826	2.74
9	A₁	788	779	0.40
10	A₁	656	649	1.29
11	A₁	581	575	0.62
12	A₁	218	215	9.54
13	A₂	2203	2177	0.00
14	A₂	1433	1417	0.00
15	A₂	1037	1025	0.00
16	A₂	991	979	0.00
17	A₂	895	885	0.00
18	A₂	692	684	0.00
19	A₂	413	409	0.00
20	B₁	2634	2604	28.75
21	B₁	2177	2152	10.16
22	B₁	1479	1462	21.78
23	B₁	1046	1035	11.31
24	B₁	967	956	27.81
25	B₁	888	878	12.79
26	B₁	714	706	2.64
27	B₁	581	574	10.55
28	B₂	2611	2581	76.77
29	B₂	2516	2488	64.65
30	B₂	2180	2156	67.15
31	B₂	1297	1282	8.27
32	B₂	1115	1102	19.61
33	B₂	898	888	23.13
34	B₂	851	841	4.83
35	B₂	549	543	7.07
36	B₂	354	350	1.89

Atom	x (Å)	y (Å)	z (Å)
B1	-0.856	0.000	-0.462
B2	0.856	0.000	-0.462
B3	0.000	1.393	0.383
B4	0.000	-1.393	0.383
H5	-1.377	0.000	-1.534
H6	1.377	0.000	-1.534
H7	-1.328	0.919	0.279
H8	-1.328	-0.919	0.279
H9	1.328	-0.919	0.279
H10	1.328	0.919	0.279
H11	0.000	1.426	1.588
H12	0.000	2.431	-0.215
H13	0.000	-1.426	1.588
H14	0.000	-2.431	-0.215

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7128	1.8407	1.8407	1.1920	2.4778	1.2714	1.2714	2.4832	2.4832	2.6399	2.5897	2.6399	2.5897
B2	1.7128		1.8407	1.8407	2.4778	1.1920	2.4832	2.4832	1.2714	1.2714	2.6399	2.5897	2.6399	2.5897
B3	1.8407	1.8407		2.7856	2.7412	2.7412	1.4139	2.6684	2.6684	1.4139	1.2051	1.1983	3.0652	3.8706
B4	1.8407	1.8407	2.7856		2.7412	2.7412	2.6684	1.4139	1.4139	2.6684	3.0652	3.8706	1.2051	1.1983
H5	1.1920	2.4778	2.7412	2.7412		2.7549	2.0334	2.0334	3.3841	3.3841	3.6984	3.0904	3.6984	3.0904
H6	2.4778	1.1920	2.7412	2.7412	2.7549		3.3841	3.3841	2.0334	2.0334	3.6984	3.0904	3.6984	3.0904
H7	1.2714	2.4832	1.4139	2.6684	2.0334	3.3841		1.8384	3.2304	2.6563	1.9324	2.0722	2.9961	3.6378
H8	1.2714	2.4832	2.6684	1.4139	2.0334	3.3841	1.8384		2.6563	3.2304	2.9961	3.6378	1.9324	2.0722
H9	2.4832	1.2714	2.6684	1.4139	3.3841	2.0334	3.2304	2.6563		1.8384	2.9961	3.6378	1.9324	2.0722
H10	2.4832	1.2714	1.4139	2.6684	3.3841	2.0334	2.6563	3.2304	1.8384		1.9324	2.0722	2.9961	3.6378
H11	2.6399	2.6399	1.2051	3.0652	3.6984	3.6984	1.9324	2.9961	2.9961	1.9324		2.0639	2.8516	4.2575
H12	2.5897	2.5897	1.1983	3.8706	3.0904	3.0904	2.0722	3.6378	3.6378	2.0722	2.0639		4.2575	4.8628
H13	2.6399	2.6399	3.0652	1.2051	3.6984	3.6984	2.9961	1.9324	1.9324	2.9961	2.8516	4.2575		2.0639
H14	2.5897	2.5897	3.8706	1.1983	3.0904	3.0904	3.6378	2.0722	2.0722	3.6378	4.2575	4.8628	2.0639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.272	B1	B2	B4	62.272
B1	B2	H6	115.921	B1	B2	H9	111.779
B1	B2	H10	111.779	B1	B3	B2	55.455
B1	B3	H7	43.579	B1	B3	H10	98.608
B1	B3	H11	118.677	B1	B3	H12	115.258
B1	B4	B2	55.455	B1	B4	H8	43.579
B1	B4	H9	98.608	B1	B4	H13	118.677
B1	B4	H14	115.258	B1	H7	B3	86.370
B1	H8	B4	86.370	B2	B1	B3	62.272
B2	B1	B4	62.272	B2	B1	H5	115.921
B2	B1	H7	111.779	B2	B1	H8	111.779
B2	B3	H7	98.608	B2	B3	H10	43.579
B2	B3	H11	118.677	B2	B3	H12	115.258
B2	B4	H8	98.608	B2	B4	H9	43.579
B2	B4	H13	118.677	B2	B4	H14	115.258
B2	H9	B4	86.370	B2	H10	B3	86.370
B3	B1	B4	98.344	B3	B1	H5	128.060
B3	B1	H7	50.050	B3	B1	H8	116.872
B3	B2	B4	98.344	B3	B2	H6	128.060
B3	B2	H9	116.872	B3	B2	H10	50.050
B4	B1	H5	128.060	B4	B1	H7	116.872
B4	B1	H8	50.050	B4	B2	H6	128.060
B4	B2	H9	50.050	B4	B2	H10	116.872
H5	B1	H7	111.222	H5	B1	H8	111.222
H6	B2	H9	111.222	H6	B2	H10	111.222
H7	B1	H8	92.600	H7	B3	H10	139.881
H7	B3	H11	94.762	H7	B3	H12	104.682
H8	B4	H9	139.881	H8	B4	H13	94.762
H8	B4	H14	104.682	H9	B2	H10	92.600
H9	B4	H13	94.762	H9	B4	H14	104.682
H10	B3	H11	94.762	H10	B3	H12	104.682
H11	B3	H12	118.353	H13	B4	H14	118.353

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

using model chemistry: PBEPBEultrafine/TZVP

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	-0.251
2	B	-0.251
3	B	-0.281
4	B	-0.281
5	H	0.079
6	H	0.079
7	H	0.162
8	H	0.162
9	H	0.162
10	H	0.162
11	H	0.074
12	H	0.055
13	H	0.074
14	H	0.055

<r²>	90.759
(<r²>)^1/2	9.527

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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