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	hartrees
Energy at 0K	-571.709681
Energy at 298.15K	-571.709188
HF Energy	-571.709681
Nuclear repulsion energy	78.970892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1928	1897	316.89
2	A'	663	652	113.97
3	A'	395	388	13.30

Atom	x (Å)	y (Å)
Cl1	-0.511	-0.883
C2	0.000	0.819
O3	1.086	1.261

	Cl1	C2	O3
Cl1		1.7768	2.6730
C2	1.7768		1.1722
O3	2.6730	1.1722

Number	Element	Mulliken
1	Cl	0.051
2	C	0.133
3	O	-0.184

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

using model chemistry: SVWN/6-31G**

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
	-0.384	-0.271	0.000	0.470
CHELPG
AIM
ESP

	x	y	z
x	3.056	1.360	0.000
y	1.360	4.848	0.000
z	0.000	0.000	1.840

<r²>	58.301
(<r²>)^1/2	7.636