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	hartrees
Energy at 0K	-673.228345
Energy at 298.15K	-673.229142
HF Energy	-673.228345
Nuclear repulsion energy	151.012318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1965	1883	384.79
2	A'	1152	1105	424.46
3	A'	768	736	96.99
4	A'	497	477	0.75
5	A'	411	394	1.02
6	A"	671	643	19.07

Atom	x (Å)	y (Å)
C1	0.000	0.511
O2	-0.816	1.363
Cl3	-0.308	-1.203
F4	1.308	0.721

	C1	O2	Cl3	F4
C1		1.1797	1.7411	1.3247
O2	1.1797		2.6153	2.2187
Cl3	1.7411	2.6153		2.5128
F4	1.3247	2.2187	2.5128

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.033		O2	C1	F4	124.625
Cl3	C1	F4	109.342

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

using model chemistry: B3PW91/6-31G**

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	0.472
2	O	-0.324
3	Cl	0.048
4	F	-0.195

	x	y	z	Total
	0.663	-0.903	0.000	1.120
CHELPG
AIM
ESP

	x	y	z
x	3.072	-0.048	0.000
y	-0.048	4.908	0.000
z	0.000	0.000	1.911

<r²>	0.000
(<r²>)^1/2	0.000