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	hartrees
Energy at 0K	-673.421316
Energy at 298.15K	-673.422081
HF Energy	-673.421316
Nuclear repulsion energy	150.248077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1904	1847	404.68
2	A'	1060	1028	420.12
3	A'	746	724	81.68
4	A'	486	471	0.52
5	A'	401	389	0.34
6	A"	660	641	14.63

Atom	x (Å)	y (Å)
C1	0.000	0.512
O2	-0.797	1.381
Cl3	-0.327	-1.205
F4	1.327	0.708

	C1	O2	Cl3	F4
C1		1.1788	1.7478	1.3410
O2	1.1788		2.6280	2.2274
Cl3	1.7478	2.6280		2.5287
F4	1.3410	2.2274	2.5287

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.689		O2	C1	F4	124.115
Cl3	C1	F4	109.196

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.491
2	O	-0.231
3	Cl	0.032
4	F	-0.291

	x	y	z	Total
	0.400	-1.201	0.000	1.266
CHELPG
AIM
ESP

	x	y	z
x	4.456	-0.009	0.000
y	-0.009	6.052	0.000
z	0.000	0.000	3.323

<r²>	0.000
(<r²>)^1/2	0.000