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	hartrees
Energy at 0K	-673.379890
Energy at 298.15K	-673.380677
HF Energy	-673.379890
Nuclear repulsion energy	151.074665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1943	1875	356.51
2	A'	1134	1094	379.71
3	A'	759	732	103.04
4	A'	489	472	1.33
5	A'	406	391	0.85
6	A"	677	653	16.40

Atom	x (Å)	y (Å)
C1	0.000	0.517
O2	-0.818	1.361
Cl3	-0.304	-1.207
F4	1.300	0.725

	C1	O2	Cl3	F4
C1		1.1751	1.7511	1.3170
O2	1.1751		2.6195	2.2115
Cl3	1.7511	2.6195		2.5116
F4	1.3170	2.2115	2.5116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	125.923		O2	C1	F4	124.999
Cl3	C1	F4	109.078

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.345
2	O	-0.218
3	Cl	-0.099
4	F	-0.028

	x	y	z	Total
	0.655	-0.841	0.000	1.066
CHELPG
AIM
ESP

	x	y	z
x	3.554	-0.009	0.000
y	-0.009	5.267	0.000
z	0.000	0.000	2.531

<r²>	0.000
(<r²>)^1/2	0.000