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	hartrees
Energy at 0K	-665.428537
Energy at 298.15K	-665.429058
HF Energy	-665.428537
Nuclear repulsion energy	144.532424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1983	1751	108.05
2	A'	1257	1110	210.88
3	A'	741	655	85.80
4	A'	464	409	0.65
5	A'	369	326	3.83
6	A"	583	515	11.48

Atom	x (Å)	y (Å)
C1	0.000	0.556
O2	-0.891	1.402
Cl3	-0.287	-1.274
F4	1.334	0.789

	C1	O2	Cl3	F4
C1		1.2287	1.8524	1.3537
O2	1.2287		2.7435	2.3075
Cl3	1.8524	2.7435		2.6229
F4	1.3537	2.3075	2.6229

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	124.616		O2	C1	F4	126.588
Cl3	C1	F4	108.796

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

using model chemistry: B1B95/STO-3G

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	0.295
2	O	-0.136
3	Cl	-0.146
4	F	-0.014

	x	y	z	Total
	1.054	1.034	0.000	1.476
CHELPG
AIM
ESP

	x	y	z
x	1.629	0.005	0.000
y	0.005	3.186	0.000
z	0.000	0.000	0.440

<r²>	0.000
(<r²>)^1/2	0.000