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	hartrees
Energy at 0K	-672.599813
Energy at 298.15K	-672.600653
HF Energy	-671.767740
Nuclear repulsion energy	151.675336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1943	1856	373.64
2	A'	1163	1111	410.06
3	A'	784	750	83.82
4	A'	512	489	0.50
5	A'	417	398	0.77
6	A"	688	657	17.94

Atom	x (Å)	y (Å)
C1	0.000	0.506
O2	-0.808	1.358
Cl3	-0.309	-1.198
F4	1.302	0.719

	C1	O2	Cl3	F4
C1		1.1745	1.7321	1.3196
O2	1.1745		2.6049	2.2048
Cl3	1.7321	2.6049		2.5049
F4	1.3196	2.2048	2.5049

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.252		O2	C1	F4	124.156
Cl3	C1	F4	109.592

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

using model chemistry: QCISD/cc-pVTZ

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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