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	hartrees
Energy at 0K	-277.139007
Energy at 298.15K	-277.140114
HF Energy	-277.139007
Nuclear repulsion energy	137.817329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1927	1906	319.60
2	A₁	1099	1087	90.99
3	A₁	866	856	129.15
4	A₁	717	709	69.26
5	B₁	761	753	21.03
6	B₁	289	286	67.86
7	B₂	1208	1195	356.53
8	B₂	721	713	74.98
9	B₂	558	552	0.35

Atom	y (Å)	z (Å)
C1	0.000	0.329
O2	0.000	1.521
Be3	0.000	-1.489
O4	1.110	-0.512
O5	-1.110	-0.512

	C1	O2	Be3	O4	O5
C1		1.1914	1.8186	1.3926	1.3926
O2	1.1914		3.0100	2.3158	2.3158
Be3	1.8186	3.0100		1.4789	1.4789
O4	1.3926	2.3158	1.4789		2.2196
O5	1.3926	2.3158	1.4789	2.2196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.530	C1	O5	Be3	78.530
O2	C1	O4	127.160	O2	C1	O5	127.160
O4	C1	O5	105.681	O4	Be3	O5	97.258

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

using model chemistry: LSDA/cc-pVDZ

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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Number	Element	Mulliken
1	C	0.367
2	O	-0.133
3	Be	0.056
4	O	-0.145
5	O	-0.145

	x	y	z	Total
	0.000	0.000	-5.947	5.947
CHELPG
AIM
ESP

<r²>	66.822
(<r²>)^1/2	8.174

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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