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	hartrees
Energy at 0K	-3467.289670
Energy at 298.15K
HF Energy	-3465.909079
Nuclear repulsion energy	595.467200

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	1084	1031	145.04	4.18	0.41	0.58
2	A	814	774	178.44	5.30	0.49	0.66
3	A	751	715	198.18	10.08	0.65	0.78
4	A	463	441	0.43	7.02	0.02	0.05
5	A	337	321	0.03	2.66	0.43	0.60
6	A	286	272	0.21	2.33	0.73	0.84
7	A	255	242	0.27	6.03	0.16	0.28
8	A	184	175	0.03	2.53	0.64	0.78
9	A	140	134	0.10	2.27	0.58	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.424	0.475	0.347
F2	0.515	0.692	1.672
Cl3	0.704	1.995	-0.487
Br4	1.771	-0.814	-0.142
I5	-1.531	-0.273	-0.074

	C1	F2	Cl3	Br4	I5
C1		1.3456	1.7560	1.9268	2.1351
F2	1.3456		2.5282	2.6706	2.8574
Cl3	1.7560	2.5282		3.0243	3.2105
Br4	1.9268	2.6706	3.0243		3.3463
I5	2.1351	2.8574	3.2105	3.3463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.478	F2	C1	Br4	108.078
F2	C1	I5	108.209	Cl3	C1	Br4	110.321
Cl3	C1	I5	110.820	Br4	C1	I5	110.837

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: MP2/Def2TZVPP

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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