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	hartrees
Energy at 0K	-7485.505084
Energy at 298.15K
HF Energy	-7485.341754
Nuclear repulsion energy	406.936718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3193	3193	2.69	80.16	0.28	0.44
2	A	1346	1346	11.29	7.74	0.75	0.86
3	A	1243	1243	96.26	6.89	0.46	0.63
4	A	1083	1083	114.83	2.87	0.67	0.80
5	A	701	701	204.91	6.36	0.74	0.85
6	A	587	587	44.18	17.52	0.17	0.29
7	A	383	383	1.25	5.43	0.29	0.45
8	A	255	255	0.14	4.89	0.43	0.60
9	A	190	190	0.05	6.48	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.012	0.481	0.435
H2	1.087	0.594	1.511
F3	1.301	1.674	-0.214
Cl4	2.186	-0.776	-0.074
I5	-1.057	-0.101	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0844	1.3888	1.7934	2.1963
H2	1.0844		2.0464	2.3655	2.7231
F3	1.3888	2.0464		2.6086	2.9582
Cl4	1.7934	2.3655	2.6086		3.3128
I5	2.1963	2.7231	2.9582	3.3128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.070	H2	C1	Cl4	108.021
H2	C1	I5	107.287	F3	C1	Cl4	109.466
F3	C1	I5	109.122	Cl4	C1	I5	111.868

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: B2PLYP=FULL/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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