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	hartrees
Energy at 0K	-3172.181218
Energy at 298.15K	-3172.185778
HF Energy	-3172.181218
Nuclear repulsion energy	318.031024

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	3080	3061	0.32	83.25	0.21	0.35
2	A	1238	1230	7.20	3.46	0.55	0.71
3	A	1149	1142	54.31	1.77	0.37	0.54
4	A	1022	1016	187.82	1.73	0.74	0.85
5	A	730	726	201.68	3.45	0.43	0.60
6	A	626	622	70.96	13.01	0.08	0.15
7	A	407	404	0.52	5.21	0.15	0.26
8	A	296	294	0.38	2.95	0.41	0.58
9	A	214	213	0.06	3.94	0.41	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.578	0.463	0.418
Br2	-1.216	-0.187	-0.029
Cl3	1.845	-0.693	-0.069
F4	0.790	1.660	-0.205
H5	0.622	0.599	1.511

	C1	Br2	Cl3	F4	H5
C1		1.9605	1.7827	1.3663	1.1019
Br2	1.9605		3.1037	2.7327	2.5236
Cl3	1.7827	3.1037		2.5821	2.3794
F4	1.3663	2.7327	2.5821		2.0245
H5	1.1019	2.5236	2.3794	2.0245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.937	Br2	C1	F4	109.152
Br2	C1	H5	107.659	Cl3	C1	F4	109.459
Cl3	C1	H5	108.847	F4	C1	H5	109.755

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.066
2	Br	0.284
3	Cl	0.002
4	F	-0.290
5	H	-0.061

	x	y	z	Total
	0.042	-0.033	1.185	1.186
CHELPG
AIM
ESP

	x	y	z
x	10.043	-0.226	0.050
y	-0.226	7.173	0.163
z	0.050	0.163	6.256

<r²>	183.540
(<r²>)^1/2	13.548