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	hartrees
Energy at 0K	-7482.544486
Energy at 298.15K
HF Energy	-7482.235584
Nuclear repulsion energy	398.596341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3102	5.56
2	A	1339	1302	21.33
3	A	1220	1186	99.15
4	A	1109	1078	112.52
5	A	674	655	153.67
6	A	566	550	23.79
7	A	349	340	2.00
8	A	264	257	0.36
9	A	179	174	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.978	0.528	0.443
H2	1.094	0.636	1.518
F3	1.271	1.711	-0.222
Cl4	2.277	-0.773	-0.071
I5	-1.078	-0.115	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0868	1.3883	1.9091	2.2029
H2	1.0868		2.0531	2.4317	2.7643
F3	1.3883	2.0531		2.6841	2.9816
Cl4	1.9091	2.4317	2.6841		3.4193
I5	2.2029	2.7643	2.9816	3.4193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.514	H2	C1	Cl4	105.194
H2	C1	I5	109.613	F3	C1	Cl4	107.936
F3	C1	I5	110.180	Cl4	C1	I5	112.321

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CCD/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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