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	hartrees
Energy at 0K	-105.231132
Energy at 298.15K	-105.241958
HF Energy	-105.231132
Nuclear repulsion energy	103.215175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2675	2655	117.53
2	A₁	2659	2639	18.00
3	A₁	2568	2548	48.35
4	A₁	2170	2154	17.07
5	A₁	1490	1478	6.25
6	A₁	1161	1153	7.52
7	A₁	1002	994	5.16
8	A₁	844	838	0.31
9	A₁	790	784	0.47
10	A₁	681	676	0.01
11	A₁	544	540	0.16
12	A₁	216	214	7.34
13	A₂	2198	2181	0.00
14	A₂	1375	1364	0.00
15	A₂	1079	1071	0.00
16	A₂	1027	1019	0.00
17	A₂	870	863	0.00
18	A₂	650	646	0.00
19	A₂	410	407	0.00
20	B₁	2665	2645	28.40
21	B₁	2176	2159	6.48
22	B₁	1446	1435	33.00
23	B₁	1102	1094	3.19
24	B₁	1006	998	49.48
25	B₁	905	898	19.63
26	B₁	744	738	0.11
27	B₁	549	545	24.18
28	B₂	2662	2642	74.50
29	B₂	2563	2544	70.19
30	B₂	2187	2170	124.97
31	B₂	1270	1261	12.74
32	B₂	1139	1131	22.26
33	B₂	923	916	7.13
34	B₂	858	852	41.57
35	B₂	441	438	8.84
36	B₂	351	348	0.21

Atom	x (Å)	y (Å)	z (Å)
B1	-0.867	0.000	-0.465
B2	0.867	0.000	-0.465
B3	0.000	1.434	0.397
B4	0.000	-1.434	0.397
H5	-1.374	0.000	-1.541
H6	1.374	0.000	-1.541
H7	-1.338	0.934	0.250
H8	-1.338	-0.934	0.250
H9	1.338	-0.934	0.250
H10	1.338	0.934	0.250
H11	0.000	1.466	1.597
H12	0.000	2.461	-0.213
H13	0.000	-1.466	1.597
H14	0.000	-2.461	-0.213

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7333	1.8847	1.8847	1.1892	2.4853	1.2677	1.2677	2.4994	2.4994	2.6745	2.6215	2.6745	2.6215
B2	1.7333		1.8847	1.8847	2.4853	1.1892	2.4994	2.4994	1.2677	1.2677	2.6745	2.6215	2.6745	2.6215
B3	1.8847	1.8847		2.8685	2.7750	2.7750	1.4363	2.7246	2.7246	1.4363	1.2001	1.1944	3.1387	3.9429
B4	1.8847	1.8847	2.8685		2.7750	2.7750	2.7246	1.4363	1.4363	2.7246	3.1387	3.9429	1.2001	1.1944
H5	1.1892	2.4853	2.7750	2.7750		2.7476	2.0203	2.0203	3.3818	3.3818	3.7259	3.1158	3.7259	3.1158
H6	2.4853	1.1892	2.7750	2.7750	2.7476		3.3818	3.3818	2.0203	2.0203	3.7259	3.1158	3.7259	3.1158
H7	1.2677	2.4994	1.4363	2.7246	2.0203	3.3818		1.8687	3.2646	2.6768	1.9719	2.0825	3.0607	3.6790
H8	1.2677	2.4994	2.7246	1.4363	2.0203	3.3818	1.8687		2.6768	3.2646	3.0607	3.6790	1.9719	2.0825
H9	2.4994	1.2677	2.7246	1.4363	3.3818	2.0203	3.2646	2.6768		1.8687	3.0607	3.6790	1.9719	2.0825
H10	2.4994	1.2677	1.4363	2.7246	3.3818	2.0203	2.6768	3.2646	1.8687		1.9719	2.0825	3.0607	3.6790
H11	2.6745	2.6745	1.2001	3.1387	3.7259	3.7259	1.9719	3.0607	3.0607	1.9719		2.0652	2.9323	4.3242
H12	2.6215	2.6215	1.1944	3.9429	3.1158	3.1158	2.0825	3.6790	3.6790	2.0825	2.0652		4.3242	4.9223
H13	2.6745	2.6745	3.1387	1.2001	3.7259	3.7259	3.0607	1.9719	1.9719	3.0607	2.9323	4.3242		2.0652
H14	2.6215	2.6215	3.9429	1.1944	3.1158	3.1158	3.6790	2.0825	2.0825	3.6790	4.3242	4.9223	2.0652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.623	B1	B2	B4	62.623
B1	B2	H6	115.242	B1	B2	H9	111.847
B1	B2	H10	111.847	B1	B3	B2	54.754
B1	B3	H7	42.243	B1	B3	H10	96.703
B1	B3	H11	118.533	B1	B3	H12	114.869
B1	B4	B2	54.754	B1	B4	H8	42.243
B1	B4	H9	96.703	B1	B4	H13	118.533
B1	B4	H14	114.869	B1	H7	B3	88.143
B1	H8	B4	88.143	B2	B1	B3	62.623
B2	B1	B4	62.623	B2	B1	H5	115.242
B2	B1	H7	111.847	B2	B1	H8	111.847
B2	B3	H7	96.703	B2	B3	H10	42.243
B2	B3	H11	118.533	B2	B3	H12	114.869
B2	B4	H8	96.703	B2	B4	H9	42.243
B2	B4	H13	118.533	B2	B4	H14	114.869
B2	H9	B4	88.143	B2	H10	B3	88.143
B3	B1	B4	99.107	B3	B1	H5	127.590
B3	B1	H7	49.613	B3	B1	H8	118.283
B3	B2	B4	99.107	B3	B2	H6	127.590
B3	B2	H9	118.283	B3	B2	H10	49.613
B4	B1	H5	127.590	B4	B1	H7	118.283
B4	B1	H8	49.613	B4	B2	H6	127.590
B4	B2	H9	49.613	B4	B2	H10	118.283
H5	B1	H7	110.587	H5	B1	H8	110.587
H6	B2	H9	110.587	H6	B2	H10	110.587
H7	B1	H8	94.957	H7	B3	H10	137.449
H7	B3	H11	96.414	H7	B3	H12	104.294
H8	B4	H9	137.449	H8	B4	H13	96.414
H8	B4	H14	104.294	H9	B2	H10	94.957
H9	B4	H13	96.414	H9	B4	H14	104.294
H10	B3	H11	96.414	H10	B3	H12	104.294
H11	B3	H12	119.191	H13	B4	H14	119.191

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

using model chemistry: BLYP/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	-0.100
2	B	-0.100
3	B	-0.096
4	B	-0.096
5	H	0.023
6	H	0.023
7	H	0.087
8	H	0.087
9	H	0.087
10	H	0.087
11	H	-0.005
12	H	0.003
13	H	-0.005
14	H	0.003

<r²>	92.817
(<r²>)^1/2	9.634

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

using model chemistry: BLYP/6-31G

States and conformations

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