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	hartrees
Energy at 0K	-105.380710
Energy at 298.15K	-105.391585
HF Energy	-105.380710
Nuclear repulsion energy	103.528028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2687	2606	106.18
2	A₁	2669	2589	31.59
3	A₁	2577	2500	52.65
4	A₁	2213	2146	13.31
5	A₁	1554	1508	7.80
6	A₁	1156	1121	8.64
7	A₁	975	946	5.16
8	A₁	845	820	0.14
9	A₁	792	768	0.78
10	A₁	662	642	0.19
11	A₁	549	533	0.07
12	A₁	213	206	7.89
13	A₂	2241	2174	0.00
14	A₂	1451	1407	0.00
15	A₂	1049	1018	0.00
16	A₂	1011	981	0.00
17	A₂	887	860	0.00
18	A₂	672	652	0.00
19	A₂	407	395	0.00
20	B₁	2678	2598	34.54
21	B₁	2217	2150	8.53
22	B₁	1522	1476	40.71
23	B₁	1069	1037	16.34
24	B₁	980	951	45.62
25	B₁	893	866	13.32
26	B₁	746	724	1.25
27	B₁	560	543	18.83
28	B₂	2670	2590	78.43
29	B₂	2573	2496	87.88
30	B₂	2230	2163	129.86
31	B₂	1308	1269	3.27
32	B₂	1139	1105	37.90
33	B₂	919	892	22.28
34	B₂	866	840	25.42
35	B₂	469	455	9.04
36	B₂	343	333	1.25

Atom	x (Å)	y (Å)	z (Å)
B1	-0.863	0.000	-0.468
B2	0.863	0.000	-0.468
B3	0.000	1.423	0.393
B4	0.000	-1.423	0.393
H5	-1.386	0.000	-1.542
H6	1.386	0.000	-1.542
H7	-1.329	0.922	0.271
H8	-1.329	-0.922	0.271
H9	1.329	-0.922	0.271
H10	1.329	0.922	0.271
H11	0.000	1.459	1.598
H12	0.000	2.452	-0.226
H13	0.000	-1.459	1.598
H14	0.000	-2.452	-0.226

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7268	1.8738	1.8738	1.1947	2.4928	1.2703	1.2703	2.4904	2.4904	2.6721	2.6104	2.6721	2.6104
B2	1.7268		1.8738	1.8738	2.4928	1.1947	2.4904	2.4904	1.2703	1.2703	2.6721	2.6104	2.6721	2.6104
B3	1.8738	1.8738		2.8458	2.7732	2.7732	1.4250	2.6983	2.6983	1.4250	1.2055	1.2005	3.1233	3.9236
B4	1.8738	1.8738	2.8458		2.7732	2.7732	2.6983	1.4250	1.4250	2.6983	3.1233	3.9236	1.2055	1.2005
H5	1.1947	2.4928	2.7732	2.7732		2.7721	2.0354	2.0354	3.3925	3.3925	3.7294	3.1087	3.7294	3.1087
H6	2.4928	1.1947	2.7732	2.7732	2.7721		3.3925	3.3925	2.0354	2.0354	3.7294	3.1087	3.7294	3.1087
H7	1.2703	2.4904	1.4250	2.6983	2.0354	3.3925		1.8449	3.2349	2.6573	1.9526	2.0859	3.0322	3.6601
H8	1.2703	2.4904	2.6983	1.4250	2.0354	3.3925	1.8449		2.6573	3.2349	3.0322	3.6601	1.9526	2.0859
H9	2.4904	1.2703	2.6983	1.4250	3.3925	2.0354	3.2349	2.6573		1.8449	3.0322	3.6601	1.9526	2.0859
H10	2.4904	1.2703	1.4250	2.6983	3.3925	2.0354	2.6573	3.2349	1.8449		1.9526	2.0859	3.0322	3.6601
H11	2.6721	2.6721	1.2055	3.1233	3.7294	3.7294	1.9526	3.0322	3.0322	1.9526		2.0766	2.9171	4.3146
H12	2.6104	2.6104	1.2005	3.9236	3.1087	3.1087	2.0859	3.6601	3.6601	2.0859	2.0766		4.3146	4.9032
H13	2.6721	2.6721	3.1233	1.2055	3.7294	3.7294	3.0322	1.9526	1.9526	3.0322	2.9171	4.3146		2.0766
H14	2.6104	2.6104	3.9236	1.2005	3.1087	3.1087	3.6601	2.0859	2.0859	3.6601	4.3146	4.9032	2.0766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.563	B1	B2	B4	62.563
B1	B2	H6	115.942	B1	B2	H9	111.485
B1	B2	H10	111.485	B1	B3	B2	54.873
B1	B3	H7	42.648	B1	B3	H10	97.106
B1	B3	H11	118.794	B1	B3	H12	114.449
B1	B4	B2	54.873	B1	B4	H8	42.648
B1	B4	H9	97.106	B1	B4	H13	118.794
B1	B4	H14	114.449	B1	H7	B3	87.891
B1	H8	B4	87.891	B2	B1	B3	62.563
B2	B1	B4	62.563	B2	B1	H5	115.942
B2	B1	H7	111.485	B2	B1	H8	111.485
B2	B3	H7	97.106	B2	B3	H10	42.648
B2	B3	H11	118.794	B2	B3	H12	114.449
B2	B4	H8	97.106	B2	B4	H9	42.648
B2	B4	H13	118.794	B2	B4	H14	114.449
B2	H9	B4	87.891	B2	H10	B3	87.891
B3	B1	B4	98.818	B3	B1	H5	127.928
B3	B1	H7	49.461	B3	B1	H8	116.929
B3	B2	B4	98.818	B3	B2	H6	127.928
B3	B2	H9	116.929	B3	B2	H10	49.461
B4	B1	H5	127.928	B4	B1	H7	116.929
B4	B1	H8	49.461	B4	B2	H6	127.928
B4	B2	H9	49.461	B4	B2	H10	116.929
H5	B1	H7	111.285	H5	B1	H8	111.285
H6	B2	H9	111.285	H6	B2	H10	111.285
H7	B1	H8	93.129	H7	B3	H10	137.624
H7	B3	H11	95.493	H7	B3	H12	104.888
H8	B4	H9	137.624	H8	B4	H13	95.493
H8	B4	H14	104.888	H9	B2	H10	93.129
H9	B4	H13	95.493	H9	B4	H14	104.888
H10	B3	H11	95.493	H10	B3	H12	104.888
H11	B3	H12	119.336	H13	B4	H14	119.336

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.077
2	B	-0.077
3	B	-0.090
4	B	-0.090
5	H	-0.004
6	H	-0.004
7	H	0.107
8	H	0.107
9	H	0.107
10	H	0.107
11	H	-0.026
12	H	-0.015
13	H	-0.026
14	H	-0.015

<r²>	92.266
(<r²>)^1/2	9.605

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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