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	hartrees
Energy at 0K	-105.431662
Energy at 298.15K	-105.442591
HF Energy	-105.431662
Nuclear repulsion energy	104.365174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2693	2594	110.37
2	A₁	2674	2576	30.89
3	A₁	2587	2492	49.79
4	A₁	2233	2151	16.41
5	A₁	1572	1514	8.82
6	A₁	1177	1134	9.97
7	A₁	1010	973	3.22
8	A₁	853	822	0.00
9	A₁	804	774	0.70
10	A₁	675	650	0.00
11	A₁	568	547	0.03
12	A₁	200	193	6.57
13	A₂	2265	2182	0.00
14	A₂	1455	1401	0.00
15	A₂	1092	1052	0.00
16	A₂	1035	997	0.00
17	A₂	903	869	0.00
18	A₂	684	659	0.00
19	A₂	396	381	0.00
20	B₁	2684	2585	32.32
21	B₁	2234	2151	7.43
22	B₁	1520	1464	45.25
23	B₁	1112	1071	8.83
24	B₁	1021	983	48.41
25	B₁	920	886	12.75
26	B₁	758	730	0.74
27	B₁	577	556	19.92
28	B₂	2676	2577	84.09
29	B₂	2584	2489	76.58
30	B₂	2253	2170	131.33
31	B₂	1332	1283	5.56
32	B₂	1163	1120	35.54
33	B₂	936	902	15.24
34	B₂	876	843	35.15
35	B₂	485	467	9.30
36	B₂	337	324	2.47

Atom	x (Å)	y (Å)	z (Å)
B1	-0.863	0.000	-0.471
B2	0.863	0.000	-0.471
B3	0.000	1.397	0.398
B4	0.000	-1.397	0.398
H5	-1.367	0.000	-1.542
H6	1.367	0.000	-1.542
H7	-1.331	0.919	0.251
H8	-1.331	-0.919	0.251
H9	1.331	-0.919	0.251
H10	1.331	0.919	0.251
H11	0.000	1.400	1.592
H12	0.000	2.431	-0.190
H13	0.000	-1.400	1.592
H14	0.000	-2.431	-0.190

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7267	1.8583	1.8583	1.1837	2.4741	1.2586	1.2586	2.4857	2.4857	2.6385	2.5946	2.6385	2.5946
B2	1.7267		1.8583	1.8583	2.4741	1.1837	2.4857	2.4857	1.2586	1.2586	2.6385	2.5946	2.6385	2.5946
B3	1.8583	1.8583		2.7948	2.7542	2.7542	1.4215	2.6756	2.6756	1.4215	1.1938	1.1891	3.0418	3.8730
B4	1.8583	1.8583	2.7948		2.7542	2.7542	2.6756	1.4215	1.4215	2.6756	3.0418	3.8730	1.1938	1.1891
H5	1.1837	2.4741	2.7542	2.7542		2.7337	2.0151	2.0151	3.3668	3.3668	3.6949	3.0990	3.6949	3.0990
H6	2.4741	1.1837	2.7542	2.7542	2.7337		3.3668	3.3668	2.0151	2.0151	3.6949	3.0990	3.6949	3.0990
H7	1.2586	2.4857	1.4215	2.6756	2.0151	3.3668		1.8384	3.2344	2.6611	1.9496	2.0614	2.9916	3.6313
H8	1.2586	2.4857	2.6756	1.4215	2.0151	3.3668	1.8384		2.6611	3.2344	2.9916	3.6313	1.9496	2.0614
H9	2.4857	1.2586	2.6756	1.4215	3.3668	2.0151	3.2344	2.6611		1.8384	2.9916	3.6313	1.9496	2.0614
H10	2.4857	1.2586	1.4215	2.6756	3.3668	2.0151	2.6611	3.2344	1.8384		1.9496	2.0614	2.9916	3.6313
H11	2.6385	2.6385	1.1938	3.0418	3.6949	3.6949	1.9496	2.9916	2.9916	1.9496		2.0587	2.8007	4.2253
H12	2.5946	2.5946	1.1891	3.8730	3.0990	3.0990	2.0614	3.6313	3.6313	2.0614	2.0587		4.2253	4.8613
H13	2.6385	2.6385	3.0418	1.1938	3.6949	3.6949	2.9916	1.9496	1.9496	2.9916	2.8007	4.2253		2.0587
H14	2.5946	2.5946	3.8730	1.1891	3.0990	3.0990	3.6313	2.0614	2.0614	3.6313	4.2253	4.8613	2.0587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.316	B1	B2	B4	62.316
B1	B2	H6	115.172	B1	B2	H9	111.790
B1	B2	H10	111.790	B1	B3	B2	55.368
B1	B3	H7	42.583	B1	B3	H10	97.667
B1	B3	H11	118.003	B1	B3	H12	114.960
B1	B4	B2	55.368	B1	B4	H8	42.583
B1	B4	H9	97.667	B1	B4	H13	118.003
B1	B4	H14	114.960	B1	H7	B3	87.575
B1	H8	B4	87.575	B2	B1	B3	62.316
B2	B1	B4	62.316	B2	B1	H5	115.172
B2	B1	H7	111.790	B2	B1	H8	111.790
B2	B3	H7	97.667	B2	B3	H10	42.583
B2	B3	H11	118.003	B2	B3	H12	114.960
B2	B4	H8	97.667	B2	B4	H9	42.583
B2	B4	H13	118.003	B2	B4	H14	114.960
B2	H9	B4	87.575	B2	H10	B3	87.575
B3	B1	B4	97.522	B3	B1	H5	128.378
B3	B1	H7	49.843	B3	B1	H8	116.970
B3	B2	B4	97.522	B3	B2	H6	128.378
B3	B2	H9	116.970	B3	B2	H10	49.843
B4	B1	H5	128.378	B4	B1	H7	116.970
B4	B1	H8	49.843	B4	B2	H6	128.378
B4	B2	H9	49.843	B4	B2	H10	116.970
H5	B1	H7	111.164	H5	B1	H8	111.164
H6	B2	H9	111.164	H6	B2	H10	111.164
H7	B1	H8	93.834	H7	B3	H10	138.780
H7	B3	H11	96.000	H7	B3	H12	103.945
H8	B4	H9	138.780	H8	B4	H13	96.000
H8	B4	H14	103.945	H9	B2	H10	93.834
H9	B4	H13	96.000	H9	B4	H14	103.945
H10	B3	H11	96.000	H10	B3	H12	103.945
H11	B3	H12	119.521	H13	B4	H14	119.521

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

using model chemistry: TPSSh/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	-0.401
2	B	-0.401
3	B	-0.465
4	B	-0.465
5	H	0.127
6	H	0.127
7	H	0.236
8	H	0.236
9	H	0.236
10	H	0.236
11	H	0.146
12	H	0.121
13	H	0.146
14	H	0.121

<r²>	90.890
(<r²>)^1/2	9.534

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

using model chemistry: TPSSh/6-311G*

States and conformations

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