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	hartrees
Energy at 0K	-573.421852
Energy at 298.15K	-573.421038
HF Energy	-573.421852
Nuclear repulsion energy	73.290128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1869	1796	333.05
2	A'	482	463	34.25
3	A'	224	216	24.49

Atom	x (Å)	y (Å)
Cl1	-0.497	-1.009
C2	0.000	0.922
O3	1.057	1.452

	Cl1	C2	O3
Cl1		1.9940	2.9101
C2	1.9940		1.1820
O3	2.9101	1.1820

Number	Element	Mulliken
1	Cl	-0.048
2	C	0.110
3	O	-0.061

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

using model chemistry: B3LYP/SDD

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
	-0.141	0.327	0.000	0.356
CHELPG
AIM
ESP

	x	y	z
x	2.537	1.479	0.000
y	1.479	5.423	0.000
z	0.000	0.000	1.351

<r²>	67.252
(<r²>)^1/2	8.201