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	hartrees
Energy at 0K	-7441.378723
Energy at 298.15K
HF Energy	-7441.281540
Nuclear repulsion energy	402.992806

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	3354	2982	3.03	39.19	0.36	0.53
2	A	1424	1266	45.08	6.26	0.72	0.84
3	A	1318	1172	88.51	8.10	0.75	0.86
4	A	1246	1107	58.67	5.84	0.50	0.67
5	A	851	757	122.42	12.27	0.57	0.73
6	A	647	575	30.77	12.37	0.20	0.33
7	A	416	370	5.46	4.51	0.32	0.49
8	A	299	266	0.76	3.88	0.59	0.74
9	A	203	180	1.49	5.22	0.58	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.974	0.514	0.415
H2	1.083	0.619	1.527
F3	1.302	1.702	-0.212
Cl4	2.225	-0.784	-0.069
I5	-1.065	-0.107	-0.018

	C1	H2	F3	Cl4	I5
C1		1.1226	1.3824	1.8669	2.1751
H2	1.1226		2.0604	2.4127	2.7439
F3	1.3824	2.0604		2.6555	2.9855
Cl4	1.8669	2.4127	2.6555		3.3596
I5	2.1751	2.7439	2.9855	3.3596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.246	H2	C1	Cl4	104.871
H2	C1	I5	108.359	F3	C1	Cl4	108.704
F3	C1	I5	112.192	Cl4	C1	I5	112.219

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2=FULL/STO-3G

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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