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	hartrees
Energy at 0K	-673.476643
Energy at 298.15K	-673.477419
HF Energy	-673.476643
Nuclear repulsion energy	150.470476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1926	1859	440.28
2	A'	1078	1041	457.14
3	A'	753	727	97.48
4	A'	486	469	2.10
5	A'	408	394	0.77
6	A"	664	641	17.09

Atom	x (Å)	y (Å)
C1	0.000	0.516
O2	-0.802	1.371
Cl3	-0.319	-1.210
F4	1.315	0.723

	C1	O2	Cl3	F4
C1		1.1720	1.7559	1.3315
O2	1.1720		2.6261	2.2144
Cl3	1.7559	2.6261		2.5313
F4	1.3315	2.2144	2.5313

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.354		O2	C1	F4	124.266
Cl3	C1	F4	109.380

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

using model chemistry: B3LYP/TZVP

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	0.331
2	O	-0.197
3	Cl	-0.015
4	F	-0.119

	x	y	z	Total
	0.425	-1.128	0.000	1.205
CHELPG
AIM
ESP

	x	y	z
x	3.443	-0.038	0.000
y	-0.038	5.322	0.000
z	0.000	0.000	2.281

<r²>	86.663
(<r²>)^1/2	9.309