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	hartrees
Energy at 0K	-673.373795
Energy at 298.15K	-673.374553
HF Energy	-673.373795
Nuclear repulsion energy	150.385493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1905	1833	422.12
2	A'	1077	1037	459.02
3	A'	749	721	86.62
4	A'	488	470	0.48
5	A'	402	387	0.67
6	A"	654	630	14.63

Atom	x (Å)	y (Å)
C1	0.000	0.510
O2	-0.820	1.364
Cl3	-0.309	-1.205
F4	1.313	0.723

	C1	O2	Cl3	F4
C1		1.1833	1.7425	1.3298
O2	1.1833		2.6186	2.2267
Cl3	1.7425	2.6186		2.5189
F4	1.3298	2.2267	2.5189

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	125.934		O2	C1	F4	124.657
Cl3	C1	F4	109.408

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

using model chemistry: TPSSh/6-31+G**

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	0.283
2	O	-0.265
3	Cl	0.160
4	F	-0.177

	x	y	z	Total
	0.409	-1.211	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	3.850	-0.040	0.000
y	-0.040	5.654	0.000
z	0.000	0.000	2.549

<r²>	86.439
(<r²>)^1/2	9.297