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	hartrees
Energy at 0K	-570.639596
Energy at 298.15K	-570.638916
HF Energy	-570.639596
Nuclear repulsion energy	76.593572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1862	1787	309.16
2	A'	541	519	71.79
3	A'	291	279	44.29

Atom	x (Å)	y (Å)
Cl1	-0.501	-0.937
C2	0.000	0.848
O3	1.064	1.355

	Cl1	C2	O3
Cl1		1.8536	2.7754
C2	1.8536		1.1790
O3	2.7754	1.1790

Number	Element	Mulliken
1	Cl	0.002
2	C	0.320
3	O	-0.322

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

using model chemistry: B3PW91/3-21G*

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
	-0.261	0.066	0.000	0.269
CHELPG
AIM
ESP

	x	y	z
x	2.706	1.359	0.000
y	1.359	4.802	0.000
z	0.000	0.000	1.572

<r²>	61.956
(<r²>)^1/2	7.871