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	hartrees
Energy at 0K	-668.385682
Energy at 298.15K	-668.386569
HF Energy	-668.385682
Nuclear repulsion energy	151.671585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2048	1860	373.60
2	A'	1251	1137	401.91
3	A'	805	732	103.90
4	A'	535	486	1.76
5	A'	428	389	2.87
6	A"	724	657	42.09

Atom	x (Å)	y (Å)
C1	0.000	0.496
O2	-0.786	1.367
Cl3	-0.329	-1.190
F4	1.320	0.701

	C1	O2	Cl3	F4
C1		1.1733	1.7180	1.3361
O2	1.1733		2.5976	2.2095
Cl3	1.7180	2.5976		2.5091
F4	1.3361	2.2095	2.5091

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.877		O2	C1	F4	123.272
Cl3	C1	F4	109.851

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

using model chemistry: ROHF/3-21G*

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	0.785
2	O	-0.500
3	Cl	0.071
4	F	-0.356

	x	y	z	Total
	0.269	-1.431	0.000	1.456
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000