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	hartrees
Energy at 0K	-7515.485757
Energy at 298.15K
HF Energy	-7514.216852
Nuclear repulsion energy	412.325769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3210	3210	4.20
2	A	1379	1379	20.62
3	A	1251	1251	109.20
4	A	1131	1131	187.27
5	A	811	811	175.92
6	A	599	599	37.78
7	A	427	427	0.86
8	A	278	278	0.15
9	A	200	200	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.002	0.468	0.415
H2	1.076	0.610	1.488
F3	1.279	1.632	-0.209
Cl4	2.175	-0.753	-0.071
I5	-1.049	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0854	1.3495	1.7617	2.1712
H2	1.0854		1.9916	2.3446	2.6991
F3	1.3495	1.9916		2.5517	2.9080
Cl4	1.7617	2.3446	2.5517		3.2898
I5	2.1712	2.6991	2.9080	3.2898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.283	H2	C1	Cl4	108.533
H2	C1	I5	107.191	F3	C1	Cl4	109.490
F3	C1	I5	109.137	Cl4	C1	I5	113.127

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CCSD=FULL/6-311G**

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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