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	hartrees
Energy at 0K	-274.520165
Energy at 298.15K	-274.520767
HF Energy	-274.520165
Nuclear repulsion energy	132.631829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1991	1758	82.07
2	A₁	1121	990	42.96
3	A₁	841	743	69.97
4	A₁	693	612	43.67
5	B₁	631	557	8.73
6	B₁	250	221	30.10
7	B₂	1178	1040	139.45
8	B₂	571	504	10.00
9	B₂	488	431	2.79

Atom	y (Å)	z (Å)
C1	0.000	0.352
O2	0.000	1.584
Be3	0.000	-1.503
O4	1.159	-0.548
O5	-1.159	-0.548

	C1	O2	Be3	O4	O5
C1		1.2320	1.8558	1.4677	1.4677
O2	1.2320		3.0878	2.4272	2.4272
Be3	1.8558	3.0878		1.5016	1.5016
O4	1.4677	2.4272	1.5016		2.3175
O5	1.4677	2.4272	1.5016	2.3175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	77.356	C1	O5	Be3	77.356
O2	C1	O4	127.861	O2	C1	O5	127.861
O4	C1	O5	104.278	O4	Be3	O5	101.010

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

using model chemistry: HSEh1PBE/STO-3G

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	0.261
2	O	-0.175
3	Be	0.355
4	O	-0.220
5	O	-0.220

	x	y	z	Total
	0.000	0.000	-3.572	3.572
CHELPG
AIM
ESP

<r²>	70.209
(<r²>)^1/2	8.379

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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