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	hartrees
Energy at 0K	-668.667477
Energy at 298.15K	-668.668073
HF Energy	-668.266784
Nuclear repulsion energy	144.437466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1875	1817	237.40
2	A'	1108	1074	337.59
3	A'	685	664	120.47
4	A'	416	403	7.62
5	A'	352	342	3.82
6	A"	603	585	24.37

Atom	x (Å)	y (Å)
C1	0.000	0.575
O2	-0.837	1.429
Cl3	-0.319	-1.280
F4	1.346	0.765

	C1	O2	Cl3	F4
C1		1.1954	1.8825	1.3594
O2	1.1954		2.7578	2.2817
Cl3	1.8825	2.7578		2.6371
F4	1.3594	2.2817	2.6371

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	125.808		O2	C1	F4	126.413
Cl3	C1	F4	107.779

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

using model chemistry: QCISD/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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