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	hartrees
Energy at 0K	-566.863021
Energy at 298.15K	-566.862371
HF Energy	-566.863021
Nuclear repulsion energy	73.778750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1808	1673	53.71
2	A'	608	562	38.81
3	A'	346	320	5.83

Atom	x (Å)	y (Å)
Cl1	-0.546	-0.947
C2	0.000	0.911
O3	1.160	1.329

	Cl1	C2	O3
Cl1		1.9366	2.8444
C2	1.9366		1.2327
O3	2.8444	1.2327

Number	Element	Mulliken
1	Cl	-0.105
2	C	0.171
3	O	-0.066

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

using model chemistry: BLYP/STO-3G

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
	0.452	0.900	0.000	1.007
CHELPG
AIM
ESP

	x	y	z
x	1.545	1.156	0.000
y	1.156	3.090	0.000
z	0.000	0.000	0.558

<r²>	63.422
(<r²>)^1/2	7.964