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	hartrees
Energy at 0K	-672.386981
Energy at 298.15K	-672.387776
HF Energy	-671.696890
Nuclear repulsion energy	150.126512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1899	1840	370.84
2	A'	1093	1059	406.69
3	A'	758	734	68.27
4	A'	500	484	0.72
5	A'	409	396	0.47
6	A"	664	643	16.24

Atom	x (Å)	y (Å)
C1	0.000	0.506
O2	-0.798	1.382
Cl3	-0.329	-1.203
F4	1.332	0.706

	C1	O2	Cl3	F4
C1		1.1846	1.7406	1.3465
O2	1.1846		2.6266	2.2345
Cl3	1.7406	2.6266		2.5301
F4	1.3465	2.2345	2.5301

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.731		O2	C1	F4	123.843
Cl3	C1	F4	109.426

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

using model chemistry: QCISD/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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