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	hartrees
Energy at 0K	-278.296087
Energy at 298.15K	-278.297273
HF Energy	-278.296087
Nuclear repulsion energy	138.285843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1968	1878	390.79
2	A₁	1139	1087	117.07
3	A₁	900	859	152.33
4	A₁	750	716	70.98
5	B₁	796	760	37.47
6	B₁	298	285	72.82
7	B₂	1260	1202	428.54
8	B₂	776	741	59.42
9	B₂	579	553	0.63

Atom	y (Å)	z (Å)
C1	0.000	0.331
O2	0.000	1.520
Be3	0.000	-1.482
O4	1.103	-0.513
O5	-1.103	-0.513

	C1	O2	Be3	O4	O5
C1		1.1893	1.8124	1.3889	1.3889
O2	1.1893		3.0017	2.3131	2.3131
Be3	1.8124	3.0017		1.4680	1.4680
O4	1.3889	2.3131	1.4680		2.2064
O5	1.3889	2.3131	1.4680	2.2064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.696	C1	O5	Be3	78.696
O2	C1	O4	127.414	O2	C1	O5	127.414
O4	C1	O5	105.173	O4	Be3	O5	97.436

All results from a given calculation for BeCO₃ (Beryllium Carbonate)

using model chemistry: HSEh1PBE/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	C	0.835
2	O	-0.430
3	Be	0.422
4	O	-0.414
5	O	-0.414

	x	y	z	Total
	0.000	0.000	-6.363	6.363
CHELPG
AIM
ESP

<r²>	66.369
(<r²>)^1/2	8.147

All results from a given calculation for BeCO3 (Beryllium Carbonate)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for BeCO₃ (Beryllium Carbonate)