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	hartrees
Energy at 0K	-113.156564
Energy at 298.15K	-113.155311
HF Energy	-113.079750
Nuclear repulsion energy	21.599556

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.672
O2	0.000	0.000	0.504

	C1	O2
C1		1.1760
O2	1.1760

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.168
2	O	-0.168

	x	y	z
x	1.199	0.000	0.000
y	0.000	1.199	0.000
z	0.000	0.000	2.111

All results from a given calculation for CO (Carbon monoxide)

using model chemistry: B2PLYP/SDD

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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<r²>	11.663
(<r²>)^1/2	3.415