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	hartrees
Energy at 0K	-672.984977
Energy at 298.15K	-672.985787
HF Energy	-672.984977
Nuclear repulsion energy	151.485801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1985	1887	392.55
2	A'	1175	1117	426.96
3	A'	781	742	97.11
4	A'	506	481	0.51
5	A'	415	395	1.06
6	A"	678	645	19.80

Atom	x (Å)	y (Å)
C1	0.000	0.508
O2	-0.816	1.358
Cl3	-0.306	-1.199
F4	1.303	0.719

	C1	O2	Cl3	F4
C1		1.1779	1.7343	1.3202
O2	1.1779		2.6071	2.2129
Cl3	1.7343	2.6071		2.5041
F4	1.3202	2.2129	2.5041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.010		O2	C1	F4	124.605
Cl3	C1	F4	109.384

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

using model chemistry: PBE1PBE/6-31G*

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	0.470
2	O	-0.324
3	Cl	0.051
4	F	-0.197

	x	y	z	Total
	0.676	-0.916	0.000	1.138
CHELPG
AIM
ESP

	x	y	z
x	3.049	-0.059	0.000
y	-0.059	4.847	0.000
z	0.000	0.000	1.908

<r²>	85.106
(<r²>)^1/2	9.225