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	hartrees
Energy at 0K	-669.965084
Energy at 298.15K	-669.965821
HF Energy	-669.965084
Nuclear repulsion energy	149.212702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1883	1807	279.54
2	A'	1113	1067	349.71
3	A'	725	695	106.48
4	A'	478	458	3.14
5	A'	394	378	2.03
6	A"	662	635	17.49

Atom	x (Å)	y (Å)
C1	0.000	0.511
O2	-0.797	1.400
Cl3	-0.337	-1.205
F4	1.346	0.691

	C1	O2	Cl3	F4
C1		1.1944	1.7484	1.3575
O2	1.1944		2.6455	2.2571
Cl3	1.7484	2.6455		2.5348
F4	1.3575	2.2571	2.5348

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	127.019		O2	C1	F4	124.240
Cl3	C1	F4	108.741

All results from a given calculation for COFCl (Carbonic chloride fluoride)

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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Number	Element	Mulliken
1	C	0.552
2	O	-0.390
3	Cl	0.074
4	F	-0.236

	x	y	z	Total
	0.402	-0.925	0.000	1.009
CHELPG
AIM
ESP

	x	y	z
x	2.769	-0.010	0.000
y	-0.010	4.591	0.000
z	0.000	0.000	1.501

<r²>	0.000
(<r²>)^1/2	0.000