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	hartrees
Energy at 0K	-9988.905808
Energy at 298.15K
HF Energy	-9988.862739
Nuclear repulsion energy	881.817512

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	1260	1260	123.68	3.76	0.25	0.40
2	A	818	818	191.72	6.89	0.52	0.68
3	A	781	781	215.94	9.49	0.74	0.85
4	A	449	449	9.15	8.81	0.02	0.04
5	A	337	337	0.64	3.78	0.71	0.83
6	A	293	293	0.88	4.23	0.72	0.84
7	A	243	243	0.89	7.57	0.27	0.42
8	A	176	176	0.93	4.29	0.68	0.81
9	A	142	142	0.14	4.16	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.441	0.432	0.395
F2	0.554	0.684	1.740
Cl3	0.748	2.085	-0.494
Br4	1.838	-0.845	-0.157
I5	-1.598	-0.275	-0.078

	C1	F2	Cl3	Br4	I5
C1		1.3731	1.9015	1.9719	2.2093
F2	1.3731		2.6446	2.7538	2.9762
Cl3	1.9015	2.6446		3.1447	3.3533
Br4	1.9719	2.7538	3.1447		3.4831
I5	2.2093	2.9762	3.3533	3.4831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.614	F2	C1	Br4	109.524
F2	C1	I5	110.169	Cl3	C1	Br4	108.544
Cl3	C1	I5	109.093	Br4	C1	I5	112.699

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: B2PLYP=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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