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	hartrees
Energy at 0K	-672.697967
Energy at 298.15K	-672.693458
HF Energy	-671.644131
Nuclear repulsion energy	153.520887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2142	2142	571.90
2	A'	1279	1279	515.60
3	A'	855	855	103.15
4	A'	555	555	1.62
5	A'	448	448	1.51
6	A"	754	754	42.03

Atom	x (Å)	y (Å)
C1	0.000	0.505
O2	-0.805	1.330
Cl3	-0.297	-1.192
F4	1.276	0.733

	C1	O2	Cl3	F4
C1		1.1531	1.7222	1.2966
O2	1.1531		2.5726	2.1656
Cl3	1.7222	2.5726		2.4857
F4	1.2966	2.1656	2.4857

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	125.784		O2	C1	F4	124.158
Cl3	C1	F4	110.057

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

using model chemistry: CBS-Q

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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