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	hartrees
Energy at 0K	-571.798751
Energy at 298.15K	-571.798267
HF Energy	-571.798751
Nuclear repulsion energy	79.600290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1914	1893	341.85
2	A'	652	645	111.59
3	A'	403	398	12.81

Atom	x (Å)	y (Å)
Cl1	-0.504	-0.878
C2	0.000	0.809
O3	1.072	1.260

	Cl1	C2	O3
Cl1		1.7605	2.6559
C2	1.7605		1.1628
O3	2.6559	1.1628

Number	Element	Mulliken
1	Cl	0.000
2	C	0.029
3	O	-0.029

All results from a given calculation for ClCO (carbonyl monochloride)

using model chemistry: LSDA/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.462	-0.461	0.000	0.653
CHELPG
AIM
ESP

	x	y	z
x	3.599	1.283	0.000
y	1.283	5.421	0.000
z	0.000	0.000	2.499

<r²>	57.854
(<r²>)^1/2	7.606