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	hartrees
Energy at 0K	-671.773796
Energy at 298.15K	-671.774740
HF Energy	-671.773796
Nuclear repulsion energy	153.760727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2093	1893	536.14
2	A'	1269	1148	458.55
3	A'	850	769	102.29
4	A'	551	498	1.04
5	A'	444	402	0.66
6	A"	758	686	28.63

Atom	x (Å)	y (Å)
C1	0.000	0.505
O2	-0.806	1.327
Cl3	-0.294	-1.192
F4	1.271	0.736

	C1	O2	Cl3	F4
C1		1.1517	1.7221	1.2919
O2	1.1517		2.5710	2.1595
Cl3	1.7221	2.5710		2.4830
F4	1.2919	2.1595	2.4830

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	125.766		O2	C1	F4	124.106
Cl3	C1	F4	110.128

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

using model chemistry: HF/daug-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	1.485
2	O	-0.720
3	Cl	-0.269
4	F	-0.497

	x	y	z	Total
	0.638	-1.321	0.000	1.467
CHELPG
AIM
ESP

	x	y	z
x	4.066	-0.118	0.000
y	-0.118	5.354	0.000
z	0.000	0.000	3.248

<r²>	83.758
(<r²>)^1/2	9.152