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	hartrees
Energy at 0K	-3169.669681
Energy at 298.15K	-3169.674346
HF Energy	-3169.487495
Nuclear repulsion energy	320.234664

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	3208	3208	4.56	77.12	0.27	0.42
2	A	1356	1356	22.11	5.89	0.75	0.86
3	A	1252	1252	84.02	4.54	0.66	0.79
4	A	1134	1134	179.30	1.42	0.72	0.84
5	A	782	782	202.80	4.84	0.59	0.74
6	A	658	658	66.52	11.16	0.15	0.26
7	A	424	424	1.36	4.80	0.27	0.42
8	A	310	310	0.16	3.33	0.51	0.68
9	A	227	227	0.07	4.93	0.50	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.578	0.464	0.416
Br2	-1.209	-0.186	-0.028
Cl3	1.835	-0.687	-0.068
F4	0.783	1.645	-0.204
H5	0.614	0.591	1.493

	C1	Br2	Cl3	F4	H5
C1		1.9532	1.7711	1.3492	1.0850
Br2	1.9532		3.0849	2.7113	2.4982
Cl3	1.7711	3.0849		2.5614	2.3581
F4	1.3492	2.7113	2.5614		2.0044
H5	1.0850	2.4982	2.3581	2.0044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.762	Br2	C1	F4	108.999
Br2	C1	H5	107.137	Cl3	C1	F4	109.604
Cl3	C1	H5	108.926	F4	C1	H5	110.387

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP/6-31G**

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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Number	Element	Mulliken
1	C	0.123
2	Br	-0.076
3	Cl	0.012
4	F	-0.246
5	H	0.187

	x	y	z	Total
	0.033	0.099	1.286	1.290
CHELPG
AIM
ESP

	x	y	z
x	7.579	-0.295	0.051
y	-0.295	4.877	0.293
z	0.051	0.293	4.022

<r²>	181.095
(<r²>)^1/2	13.457