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	hartrees
Energy at 0K	-834.604545
Energy at 298.15K	-834.606895
HF Energy	-834.604545
Nuclear repulsion energy	295.364001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1259	1206	110.30
2	A'	743	711	114.91
3	A'	524	501	6.75
4	A'	501	480	22.51
5	A'	331	317	7.02
6	A'	229	220	2.06
7	A"	738	707	505.65
8	A"	515	493	5.32
9	A"	429	411	0.23

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.291	0.050	0.000
O2	0.227	-1.361	0.000
F3	-1.205	0.648	0.000
F4	0.227	0.233	1.690
F5	0.227	0.233	-1.690

	Cl1	O2	F3	F4	F5
Cl1		1.4124	1.6112	1.7010	1.7010
O2	1.4124		2.4670	2.3229	2.3229
F3	1.6112	2.4670		2.2538	2.2538
F4	1.7010	2.3229	2.2538		3.3800
F5	1.7010	2.3229	2.2538	3.3800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.174	O2	Cl1	F4	96.061
O2	Cl1	F5	96.061	F3	Cl1	F4	85.711
F3	Cl1	F5	85.711	F4	Cl1	F5	166.931

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

using model chemistry: B1B95/6-31G(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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Number	Element	Mulliken
1	Cl	0.859
2	O	-0.174
3	F	-0.127
4	F	-0.279
5	F	-0.279

	x	y	z	Total
	0.647	0.624	0.000	0.899
CHELPG
AIM
ESP

	x	y	z
x	3.190	-0.502	0.000
y	-0.502	3.778	0.000
z	0.000	0.000	5.024

<r²>	107.111
(<r²>)^1/2	10.349

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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