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	hartrees
Energy at 0K	-278.557534
Energy at 298.15K	-278.558739
HF Energy	-278.557534
Nuclear repulsion energy	138.752996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1990	1990	477.37
2	A₁	1147	1147	135.99
3	A₁	913	913	182.44
4	A₁	756	756	67.30
5	B₁	813	813	45.31
6	B₁	293	293	80.47
7	B₂	1256	1256	477.16
8	B₂	778	778	59.06
9	B₂	594	594	1.03

Atom	y (Å)	z (Å)
C1	0.000	0.335
O2	0.000	1.514
Be3	0.000	-1.484
O4	1.098	-0.511
O5	-1.098	-0.511

	C1	O2	Be3	O4	O5
C1		1.1789	1.8190	1.3859	1.3859
O2	1.1789		2.9979	2.3033	2.3033
Be3	1.8190	2.9979		1.4669	1.4669
O4	1.3859	2.3033	1.4669		2.1955
O5	1.3859	2.3033	1.4669	2.1955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.172	C1	O5	Be3	79.172
O2	C1	O4	127.620	O2	C1	O5	127.620
O4	C1	O5	104.761	O4	Be3	O5	96.895

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

using model chemistry: M06-2X/6-311G*

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	0.660
2	O	-0.329
3	Be	0.446
4	O	-0.388
5	O	-0.388

	x	y	z	Total
	0.000	0.000	-6.556	6.556
CHELPG
AIM
ESP

<r²>	66.264
(<r²>)^1/2	8.140

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

using model chemistry: M06-2X/6-311G*

States and conformations

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