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	hartrees
Energy at 0K	-833.475875
Energy at 298.15K	-833.478176
HF Energy	-832.265422
Nuclear repulsion energy	293.808397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1357	1276	102.29
2	A'	714	671	136.82
3	A'	512	482	5.60
4	A'	495	465	28.65
5	A'	319	300	5.16
6	A'	228	214	2.74
7	A"	737	693	474.37
8	A"	508	478	5.73
9	A"	418	393	0.57

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.288	0.049	0.000
O2	0.233	-1.360	0.000
F3	-1.219	0.640	0.000
F4	0.233	0.238	1.703
F5	0.233	0.238	-1.703

	Cl1	O2	F3	F4	F5
Cl1		1.4097	1.6194	1.7145	1.7145
O2	1.4097		2.4720	2.3358	2.3358
F3	1.6194	2.4720		2.2741	2.2741
F4	1.7145	2.3358	2.2741		3.4062
F5	1.7145	2.3358	2.2741	3.4062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.195	O2	Cl1	F4	96.282
O2	Cl1	F5	96.282	F3	Cl1	F4	85.969
F3	Cl1	F5	85.969	F4	Cl1	F5	166.758

All results from a given calculation for ClOF₃ (Chlorine trifluoride oxide)

using model chemistry: MP2=FULL/6-31G(2df,p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for ClOF3 (Chlorine trifluoride oxide)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for ClOF₃ (Chlorine trifluoride oxide)