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	hartrees
Energy at 0K	-278.575603
Energy at 298.15K	-278.576702
HF Energy	-278.575603
Nuclear repulsion energy	137.221103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1918	1840	358.44
2	A₁	1115	1070	112.43
3	A₁	856	821	128.72
4	A₁	729	699	76.82
5	B₁	765	734	30.85
6	B₁	294	282	71.08
7	B₂	1228	1178	386.17
8	B₂	724	694	79.36
9	B₂	558	536	1.54

Atom	y (Å)	z (Å)
C1	0.000	0.335
O2	0.000	1.531
Be3	0.000	-1.486
O4	1.114	-0.520
O5	-1.114	-0.520

	C1	O2	Be3	O4	O5
C1		1.1952	1.8213	1.4041	1.4041
O2	1.1952		3.0165	2.3332	2.3332
Be3	1.8213	3.0165		1.4746	1.4746
O4	1.4041	2.3332	1.4746		2.2276
O5	1.4041	2.3332	1.4746	2.2276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.454	C1	O5	Be3	78.454
O2	C1	O4	127.508	O2	C1	O5	127.508
O4	C1	O5	104.983	O4	Be3	O5	98.108

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

using model chemistry: TPSSh/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	0.826
2	O	-0.429
3	Be	0.423
4	O	-0.410
5	O	-0.410

	x	y	z	Total
	0.000	0.000	-6.170	6.170
CHELPG
AIM
ESP

<r²>	67.211
(<r²>)^1/2	8.198

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

using model chemistry: TPSSh/6-31G*

States and conformations

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