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	hartrees
Energy at 0K	-673.513747
Energy at 298.15K	-673.514532
HF Energy	-673.513747
Nuclear repulsion energy	151.166999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1910	1851	410.60
2	A'	1075	1042	418.30
3	A'	757	733	88.72
4	A'	492	476	1.08
5	A'	407	394	0.33
6	A"	673	652	14.71

Atom	x (Å)	y (Å)
C1	0.000	0.510
O2	-0.797	1.368
Cl3	-0.321	-1.200
F4	1.314	0.712

	C1	O2	Cl3	F4
C1		1.1710	1.7400	1.3298
O2	1.1710		2.6119	2.2107
Cl3	1.7400	2.6119		2.5162
F4	1.3298	2.2107	2.5162

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.486		O2	C1	F4	124.142
Cl3	C1	F4	109.372

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	0.684
2	O	-0.400
3	Cl	0.084
4	F	-0.368

	x	y	z	Total
	0.435	-1.203	0.000	1.280
CHELPG
AIM
ESP

	x	y	z
x	4.593	-0.021	0.000
y	-0.021	6.132	0.000
z	0.000	0.000	3.510

<r²>	0.000
(<r²>)^1/2	0.000