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	hartrees
Energy at 0K	-163.960947
Energy at 298.15K
HF Energy	-163.687874
Nuclear repulsion energy	81.233457

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	3212	3093	7.97	101.96	0.22	0.36
2	A	1288	1240	24.50	10.40	0.69	0.82
3	A	1241	1195	78.28	5.41	0.74	0.85
4	A	940	906	168.60	3.45	0.52	0.68
5	A	706	680	148.51	9.26	0.51	0.67
6	A	571	550	31.02	14.26	0.27	0.43
7	A	367	353	1.41	7.36	0.41	0.59
8	A	260	250	0.85	5.76	0.62	0.77
9	A	191	184	0.13	10.44	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.977	0.473	0.448
H2	1.084	0.635	1.524
F3	1.277	1.724	-0.215
Cl4	2.253	-0.771	-0.075
I5	-1.071	-0.111	-0.019

	C1	H2	F3	Cl4	I5
C1		1.0938	1.4471	1.8577	2.1793
H2	1.0938		2.0609	2.4295	2.7525
F3	1.4471	2.0609		2.6835	2.9856
Cl4	1.8577	2.4295	2.6835		3.3893
I5	2.1793	2.7525	2.9856	3.3893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.593	H2	C1	Cl4	107.988
H2	C1	I5	110.000	F3	C1	Cl4	107.938
F3	C1	I5	109.163	Cl4	C1	I5	113.953

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2/LANL2DZ

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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