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	hartrees
Energy at 0K	-573.521130
Energy at 298.15K	-573.520625
HF Energy	-573.521130
Nuclear repulsion energy	79.200574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1967	1887	387.84
2	A'	633	607	113.17
3	A'	391	375	23.97

Atom	x (Å)	y (Å)
Cl1	-0.500	-0.891
C2	0.000	0.821
O3	1.062	1.277

	Cl1	C2	O3
Cl1		1.7833	2.6710
C2	1.7833		1.1551
O3	2.6710	1.1551

Number	Element	Mulliken
1	Cl	-0.049
2	C	0.121
3	O	-0.072

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

using model chemistry: mPW1PW91/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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	x	y	z	Total
	-0.503	-0.261	0.000	0.567
CHELPG
AIM
ESP

	x	y	z
x	3.520	1.202	0.000
y	1.202	5.279	0.000
z	0.000	0.000	2.456

<r²>	58.349
(<r²>)^1/2	7.639