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	hartrees
Energy at 0K	-673.088394
Energy at 298.15K	-673.089126
HF Energy	-673.088394
Nuclear repulsion energy	150.313411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1857	1835	364.33
2	A'	1036	1023	406.40
3	A'	734	725	81.15
4	A'	477	471	1.20
5	A'	396	392	0.38
6	A"	650	642	10.52

Atom	x (Å)	y (Å)
C1	0.000	0.512
O2	-0.819	1.363
Cl3	-0.309	-1.204
F4	1.312	0.722

	C1	O2	Cl3	F4
C1		1.1812	1.7436	1.3291
O2	1.1812		2.6172	2.2255
Cl3	1.7436	2.6172		2.5183
F4	1.3291	2.2255	2.5183

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	125.881		O2	C1	F4	124.777
Cl3	C1	F4	109.342

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.266
2	O	-0.153
3	Cl	-0.016
4	F	-0.096

	x	y	z	Total
	0.441	-1.169	0.000	1.250
CHELPG
AIM
ESP

	x	y	z
x	3.968	0.014	0.000
y	0.014	5.740	0.000
z	0.000	0.000	2.775

<r²>	86.314
(<r²>)^1/2	9.291