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	hartrees
Energy at 0K	-893.000347
Energy at 298.15K
HF Energy	-892.098198
Nuclear repulsion energy	246.065525

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	3205	3205	0.45	72.24	0.22	0.36
2	A	1351	1351	10.69	3.43	0.64	0.78
3	A	1220	1220	81.29	4.47	0.26	0.41
4	A	1112	1112	177.27	2.64	0.50	0.67
5	A	806	806	170.57	4.29	0.73	0.84
6	A	617	617	36.07	13.66	0.13	0.24
7	A	425	425	0.49	3.53	0.25	0.40
8	A	281	281	0.13	3.75	0.36	0.53
9	A	199	199	0.01	4.22	0.43	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.982	0.471	0.415
H2	1.052	0.607	1.482
F3	1.261	1.632	-0.209
Cl4	2.136	-0.754	-0.070
I5	-1.030	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0777	1.3470	1.7525	2.1355
H2	1.0777		1.9881	2.3322	2.6608
F3	1.3470	1.9881		2.5457	2.8787
Cl4	1.7525	2.3322	2.5457		3.2338
I5	2.1355	2.6608	2.8787	3.2338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.660	H2	C1	Cl4	108.629
H2	C1	I5	107.160	F3	C1	Cl4	109.741
F3	C1	I5	109.411	Cl4	C1	I5	112.183

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2=FULL/cc-pVTZ-PP

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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