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	hartrees
Energy at 0K	-278.596691
Energy at 298.15K	-278.597924
HF Energy	-278.596691
Nuclear repulsion energy	138.842550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1974	1885	474.35
2	A₁	1166	1113	136.72
3	A₁	913	872	176.55
4	A₁	757	723	72.59
5	B₁	815	779	41.49
6	B₁	296	283	79.35
7	B₂	1266	1209	469.95
8	B₂	800	764	63.23
9	B₂	593	566	1.71

Atom	y (Å)	z (Å)
C1	0.000	0.333
O2	0.000	1.513
Be3	0.000	-1.480
O4	1.097	-0.512
O5	-1.097	-0.512

	C1	O2	Be3	O4	O5
C1		1.1798	1.8135	1.3852	1.3852
O2	1.1798		2.9933	2.3033	2.3033
Be3	1.8135	2.9933		1.4636	1.4636
O4	1.3852	2.3033	1.4636		2.1949
O5	1.3852	2.3033	1.4636	2.1949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.026	C1	O5	Be3	79.026
O2	C1	O4	127.602	O2	C1	O5	127.602
O4	C1	O5	104.796	O4	Be3	O5	97.152

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

using model chemistry: M06-2X/cc-pVTZ

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	0.532
2	O	-0.280
3	Be	0.324
4	O	-0.287
5	O	-0.287

	x	y	z	Total
	0.000	0.000	-6.715	6.715
CHELPG
AIM
ESP

<r²>	66.204
(<r²>)^1/2	8.137

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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