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	hartrees
Energy at 0K	-105.227388
Energy at 298.15K	-105.238368
HF Energy	-105.227388
Nuclear repulsion energy	104.128624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2703	2600	78.77
2	A₁	2674	2572	40.21
3	A₁	2578	2479	51.16
4	A₁	2226	2141	6.11
5	A₁	1576	1516	5.92
6	A₁	1147	1104	6.28
7	A₁	967	930	4.79
8	A₁	848	816	2.11
9	A₁	797	766	0.34
10	A₁	660	635	0.72
11	A₁	588	566	0.35
12	A₁	207	199	8.70
13	A₂	2269	2183	0.00
14	A₂	1488	1431	0.00
15	A₂	1040	1001	0.00
16	A₂	1004	966	0.00
17	A₂	900	866	0.00
18	A₂	703	676	0.00
19	A₂	410	394	0.00
20	B₁	2695	2592	32.24
21	B₁	2236	2150	9.31
22	B₁	1536	1477	32.37
23	B₁	1056	1015	16.88
24	B₁	969	932	33.47
25	B₁	895	861	12.85
26	B₁	733	705	2.89
27	B₁	584	561	13.35
28	B₂	2676	2574	79.38
29	B₂	2575	2476	79.43
30	B₂	2252	2167	91.65
31	B₂	1329	1279	3.26
32	B₂	1132	1089	29.81
33	B₂	913	878	25.21
34	B₂	865	832	9.36
35	B₂	559	537	7.82
36	B₂	343	330	2.03

Atom	x (Å)	y (Å)	z (Å)
B1	-0.860	0.000	-0.465
B2	0.860	0.000	-0.465
B3	0.000	1.401	0.386
B4	0.000	-1.401	0.386
H5	-1.381	0.000	-1.542
H6	1.381	0.000	-1.542
H7	-1.332	0.916	0.284
H8	-1.332	-0.916	0.284
H9	1.332	-0.916	0.284
H10	1.332	0.916	0.284
H11	0.000	1.435	1.594
H12	0.000	2.438	-0.223
H13	0.000	-1.435	1.594
H14	0.000	-2.438	-0.223

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7202	1.8511	1.8511	1.1959	2.4860	1.2734	1.2734	2.4907	2.4907	2.6534	2.5970	2.6534	2.5970
B2	1.7202		1.8511	1.8511	2.4860	1.1959	2.4907	2.4907	1.2734	1.2734	2.6534	2.5970	2.6534	2.5970
B3	1.8511	1.8511		2.8021	2.7539	2.7539	1.4212	2.6741	2.6741	1.4212	1.2089	1.2029	3.0832	3.8875
B4	1.8511	1.8511	2.8021		2.7539	2.7539	2.6741	1.4212	1.4212	2.6741	3.0832	3.8875	1.2089	1.2029
H5	1.1959	2.4860	2.7539	2.7539		2.7615	2.0427	2.0427	3.3953	3.3953	3.7148	3.0969	3.7148	3.0969
H6	2.4860	1.1959	2.7539	2.7539	2.7615		3.3953	3.3953	2.0427	2.0427	3.7148	3.0969	3.7148	3.0969
H7	1.2734	2.4907	1.4212	2.6741	2.0427	3.3953		1.8312	3.2324	2.6636	1.9394	2.0856	3.0031	3.6442
H8	1.2734	2.4907	2.6741	1.4212	2.0427	3.3953	1.8312		2.6636	3.2324	3.0031	3.6442	1.9394	2.0856
H9	2.4907	1.2734	2.6741	1.4212	3.3953	2.0427	3.2324	2.6636		1.8312	3.0031	3.6442	1.9394	2.0856
H10	2.4907	1.2734	1.4212	2.6741	3.3953	2.0427	2.6636	3.2324	1.8312		1.9394	2.0856	3.0031	3.6442
H11	2.6534	2.6534	1.2089	3.0832	3.7148	3.7148	1.9394	3.0031	3.0031	1.9394		2.0758	2.8709	4.2790
H12	2.5970	2.5970	1.2029	3.8875	3.0969	3.0969	2.0856	3.6442	3.6442	2.0856	2.0758		4.2790	4.8769
H13	2.6534	2.6534	3.0832	1.2089	3.7148	3.7148	3.0031	1.9394	1.9394	3.0031	2.8709	4.2790		2.0758
H14	2.5970	2.5970	3.8875	1.2029	3.0969	3.0969	3.6442	2.0856	2.0856	3.6442	4.2790	4.8769	2.0758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.314	B1	B2	B4	62.314
B1	B2	H6	115.811	B1	B2	H9	111.744
B1	B2	H10	111.744	B1	B3	B2	55.373
B1	B3	H7	43.369	B1	B3	H10	98.273
B1	B3	H11	118.749	B1	B3	H12	114.836
B1	B4	B2	55.373	B1	B4	H8	43.369
B1	B4	H9	98.273	B1	B4	H13	118.749
B1	B4	H14	114.836	B1	H7	B3	86.598
B1	H8	B4	86.598	B2	B1	B3	62.314
B2	B1	B4	62.314	B2	B1	H5	115.811
B2	B1	H7	111.744	B2	B1	H8	111.744
B2	B3	H7	98.273	B2	B3	H10	43.369
B2	B3	H11	118.749	B2	B3	H12	114.836
B2	B4	H8	98.273	B2	B4	H9	43.369
B2	B4	H13	118.749	B2	B4	H14	114.836
B2	H9	B4	86.598	B2	H10	B3	86.598
B3	B1	B4	98.379	B3	B1	H5	128.030
B3	B1	H7	50.033	B3	B1	H8	116.492
B3	B2	B4	98.379	B3	B2	H6	128.030
B3	B2	H9	116.492	B3	B2	H10	50.033
B4	B1	H5	128.030	B4	B1	H7	116.492
B4	B1	H8	50.033	B4	B2	H6	128.030
B4	B2	H9	50.033	B4	B2	H10	116.492
H5	B1	H7	111.595	H5	B1	H8	111.595
H6	B2	H9	111.595	H6	B2	H10	111.595
H7	B1	H8	91.948	H7	B3	H10	139.143
H7	B3	H11	94.674	H7	B3	H12	104.964
H8	B4	H9	139.143	H8	B4	H13	94.674
H8	B4	H14	104.964	H9	B2	H10	91.948
H9	B4	H13	94.674	H9	B4	H14	104.964
H10	B3	H11	94.674	H10	B3	H12	104.964
H11	B3	H12	118.785	H13	B4	H14	118.785

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

using model chemistry: HSEh1PBE/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	-0.151
2	B	-0.151
3	B	-0.198
4	B	-0.198
5	H	0.029
6	H	0.029
7	H	0.143
8	H	0.143
9	H	0.143
10	H	0.143
11	H	0.016
12	H	0.019
13	H	0.016
14	H	0.019

<r²>	91.088
(<r²>)^1/2	9.544

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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