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	hartrees
Energy at 0K	-113.284048
Energy at 298.15K	-113.282796
HF Energy	-113.165547
Nuclear repulsion energy	22.449683

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.647
O2	0.000	0.000	0.486

	C1	O2
C1		1.1329
O2	1.1329

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.038
2	O	0.038

	x	y	z	Total
	0.000	0.000	0.173	0.173
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/cc-pVTZ

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>	11.189
(<r²>)^1/2	3.345