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	hartrees
Energy at 0K	-278.486420
Energy at 298.15K	-278.487620
HF Energy	-278.486420
Nuclear repulsion energy	138.301913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1978	1978	427.58
2	A₁	1135	1135	135.83
3	A₁	914	914	170.60
4	A₁	756	756	69.45
5	B₁	806	806	42.88
6	B₁	291	291	79.28
7	B₂	1269	1269	451.53
8	B₂	806	806	50.82
9	B₂	585	585	0.92

Atom	y (Å)	z (Å)
C1	0.000	0.332
O2	0.000	1.521
Be3	0.000	-1.490
O4	1.100	-0.513
O5	-1.100	-0.513

	C1	O2	Be3	O4	O5
C1		1.1891	1.8216	1.3867	1.3867
O2	1.1891		3.0108	2.3121	2.3121
Be3	1.8216	3.0108		1.4712	1.4712
O4	1.3867	2.3121	1.4712		2.1998
O5	1.3867	2.3121	1.4712	2.1998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.136	C1	O5	Be3	79.136
O2	C1	O4	127.519	O2	C1	O5	127.519
O4	C1	O5	104.961	O4	Be3	O5	96.767

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

using model chemistry: wB97X-D/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	0.849
2	O	-0.441
3	Be	0.452
4	O	-0.430
5	O	-0.430

	x	y	z	Total
	0.000	0.000	-6.670	6.670
CHELPG
AIM
ESP

<r²>	66.301
(<r²>)^1/2	8.143

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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