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	hartrees
Energy at 0K	-673.219137
Energy at 298.15K	-673.219940
HF Energy	-672.950802
Nuclear repulsion energy	151.193604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1905	1828	372.18
2	A'	1103	1058	420.07
3	A'	762	731	90.16
4	A'	497	477	0.79
5	A'	411	394	0.69
6	A"	676	648	15.62

Atom	x (Å)	y (Å)
C1	0.000	0.510
O2	-0.814	1.357
Cl3	-0.306	-1.201
F4	1.303	0.722

	C1	O2	Cl3	F4
C1		1.1746	1.7385	1.3199
O2	1.1746		2.6076	2.2104
Cl3	1.7385	2.6076		2.5074
F4	1.3199	2.2104	2.5074

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	125.949		O2	C1	F4	124.674
Cl3	C1	F4	109.377

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

using model chemistry: B2PLYP/cc-pVTZ

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	0.424
2	O	-0.219
3	Cl	-0.057
4	F	-0.148

	x	y	z	Total
	0.494	-1.267	0.000	1.360
CHELPG
AIM
ESP

	x	y	z
x	3.610	-0.015	0.000
y	-0.015	5.381	0.000
z	0.000	0.000	2.508

<r²>	85.693
(<r²>)^1/2	9.257