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	hartrees
Energy at 0K	-104.500729
Energy at 298.15K	-104.511709
HF Energy	-104.500729
Nuclear repulsion energy	103.494622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2777	2517	204.32
2	A₁	2762	2504	6.52
3	A₁	2683	2432	66.00
4	A₁	2341	2122	49.35
5	A₁	1651	1497	19.78
6	A₁	1268	1149	20.10
7	A₁	1108	1004	0.34
8	A₁	903	819	2.98
9	A₁	813	737	0.18
10	A₁	709	642	1.74
11	A₁	529	479	0.02
12	A₁	226	205	5.33
13	A₂	2347	2128	0.00
14	A₂	1543	1398	0.00
15	A₂	1169	1059	0.00
16	A₂	1103	1000	0.00
17	A₂	941	853	0.00
18	A₂	651	590	0.00
19	A₂	425	385	0.00
20	B₁	2761	2503	48.25
21	B₁	2321	2104	15.04
22	B₁	1633	1480	91.79
23	B₁	1196	1084	17.94
24	B₁	1090	988	98.20
25	B₁	970	879	19.67
26	B₁	840	762	0.00
27	B₁	566	513	41.20
28	B₂	2765	2506	91.42
29	B₂	2678	2427	104.64
30	B₂	2351	2131	278.78
31	B₂	1393	1263	1.99
32	B₂	1250	1133	71.78
33	B₂	1021	925	18.99
34	B₂	898	814	100.26
35	B₂	413	375	12.56
36	B₂	257	233	0.11

Atom	x (Å)	y (Å)	z (Å)
B1	-0.868	0.000	-0.464
B2	0.868	0.000	-0.464
B3	0.000	1.421	0.393
B4	0.000	-1.421	0.393
H5	-1.380	0.000	-1.525
H6	1.380	0.000	-1.525
H7	-1.316	0.920	0.256
H8	-1.316	-0.920	0.256
H9	1.316	-0.920	0.256
H10	1.316	0.920	0.256
H11	0.000	1.464	1.582
H12	0.000	2.436	-0.217
H13	0.000	-1.464	1.582
H14	0.000	-2.436	-0.217

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7354	1.8728	1.8728	1.1786	2.4855	1.2512	1.2512	2.4762	2.4762	2.6609	2.5973	2.6609	2.5973
B2	1.7354		1.8728	1.8728	2.4855	1.1786	2.4762	2.4762	1.2512	1.2512	2.6609	2.5973	2.6609	2.5973
B3	1.8728	1.8728		2.8422	2.7577	2.7577	1.4145	2.6888	2.6888	1.4145	1.1889	1.1838	3.1204	3.9046
B4	1.8728	1.8728	2.8422		2.7577	2.7577	2.6888	1.4145	1.4145	2.6888	3.1204	3.9046	1.1889	1.1838
H5	1.1786	2.4855	2.7577	2.7577		2.7593	2.0063	2.0063	3.3594	3.3594	3.7015	3.0900	3.7015	3.0900
H6	2.4855	1.1786	2.7577	2.7577	2.7593		3.3594	3.3594	2.0063	2.0063	3.7015	3.0900	3.7015	3.0900
H7	1.2512	2.4762	1.4145	2.6888	2.0063	3.3594		1.8397	3.2106	2.6312	1.9451	2.0620	3.0284	3.6350
H8	1.2512	2.4762	2.6888	1.4145	2.0063	3.3594	1.8397		2.6312	3.2106	3.0284	3.6350	1.9451	2.0620
H9	2.4762	1.2512	2.6888	1.4145	3.3594	2.0063	3.2106	2.6312		1.8397	3.0284	3.6350	1.9451	2.0620
H10	2.4762	1.2512	1.4145	2.6888	3.3594	2.0063	2.6312	3.2106	1.8397		1.9451	2.0620	3.0284	3.6350
H11	2.6609	2.6609	1.1889	3.1204	3.7015	3.7015	1.9451	3.0284	3.0284	1.9451		2.0438	2.9285	4.2944
H12	2.5973	2.5973	1.1838	3.9046	3.0900	3.0900	2.0620	3.6350	3.6350	2.0620	2.0438		4.2944	4.8711
H13	2.6609	2.6609	3.1204	1.1889	3.7015	3.7015	3.0284	1.9451	1.9451	3.0284	2.9285	4.2944		2.0438
H14	2.5973	2.5973	3.9046	1.1838	3.0900	3.0900	3.6350	2.0620	2.0620	3.6350	4.2944	4.8711	2.0438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.399	B1	B2	B4	62.399
B1	B2	H6	115.746	B1	B2	H9	110.977
B1	B2	H10	110.977	B1	B3	B2	55.202
B1	B3	H7	41.913	B1	B3	H10	96.758
B1	B3	H11	119.015	B1	B3	H12	114.475
B1	B4	B2	55.202	B1	B4	H8	41.913
B1	B4	H9	96.758	B1	B4	H13	119.015
B1	B4	H14	114.475	B1	H7	B3	89.044
B1	H8	B4	89.044	B2	B1	B3	62.399
B2	B1	B4	62.399	B2	B1	H5	115.746
B2	B1	H7	110.977	B2	B1	H8	110.977
B2	B3	H7	96.758	B2	B3	H10	41.913
B2	B3	H11	119.015	B2	B3	H12	114.475
B2	B4	H8	96.758	B2	B4	H9	41.913
B2	B4	H13	119.015	B2	B4	H14	114.475
B2	H9	B4	89.044	B2	H10	B3	89.044
B3	B1	B4	98.718	B3	B1	H5	127.849
B3	B1	H7	49.042	B3	B1	H8	117.400
B3	B2	B4	98.718	B3	B2	H6	127.849
B3	B2	H9	117.400	B3	B2	H10	49.042
B4	B1	H5	127.849	B4	B1	H7	117.400
B4	B1	H8	49.042	B4	B2	H6	127.849
B4	B2	H9	49.042	B4	B2	H10	117.400
H5	B1	H7	111.283	H5	B1	H8	111.283
H6	B2	H9	111.283	H6	B2	H10	111.283
H7	B1	H8	94.644	H7	B3	H10	136.895
H7	B3	H11	96.299	H7	B3	H12	104.697
H8	B4	H9	136.895	H8	B4	H13	96.299
H8	B4	H14	104.697	H9	B2	H10	94.644
H9	B4	H13	96.299	H9	B4	H14	104.697
H10	B3	H11	96.299	H10	B3	H12	104.697
H11	B3	H12	118.944	H13	B4	H14	118.944

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

using model chemistry: HF/Def2TZVPP

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	-0.037
2	B	-0.037
3	B	0.026
4	B	0.026
5	H	-0.030
6	H	-0.030
7	H	0.038
8	H	0.038
9	H	0.038
10	H	0.038
11	H	-0.012
12	H	-0.023
13	H	-0.012
14	H	-0.023

<r²>	92.969
(<r²>)^1/2	9.642

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

using model chemistry: HF/Def2TZVPP

States and conformations

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