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	hartrees
Energy at 0K	-570.632279
Energy at 298.15K	-570.631206
HF Energy	-570.632279
Nuclear repulsion energy	69.107615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2026	1954	169.56
2	A'	360	347	1.60
3	A'	126	122	4.47

Atom	x (Å)	y (Å)
Cl1	-0.452	-1.148
C2	0.000	1.026
O3	0.960	1.670

	Cl1	C2	O3
Cl1		2.2201	3.1522
C2	2.2201		1.1564
O3	3.1522	1.1564

Number	Element	Mulliken
1	Cl	-0.105
2	C	0.389
3	O	-0.284

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

using model chemistry: B3LYPultrafine/3-21G

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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	x	y	z	Total
	0.262	1.334	0.000	1.360
CHELPG
AIM
ESP

	x	y	z
x	2.023	1.233	0.000
y	1.233	5.683	0.000
z	0.000	0.000	1.264

<r²>	76.506
(<r²>)^1/2	8.747