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	hartrees
Energy at 0K	-3169.825626
Energy at 298.15K	-3169.830318
HF Energy	-3169.825626
Nuclear repulsion energy	322.464839

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	3191	3048	0.52	77.30	0.25	0.40
2	A	1327	1268	14.87	4.52	0.73	0.84
3	A	1249	1193	74.21	3.97	0.53	0.70
4	A	1112	1062	206.70	1.31	0.75	0.85
5	A	796	761	218.11	3.98	0.66	0.80
6	A	668	639	61.54	12.83	0.09	0.17
7	A	432	413	0.98	4.03	0.24	0.39
8	A	319	305	0.05	2.92	0.49	0.66
9	A	228	218	0.02	4.14	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	0.451	0.414
Br2	-1.200	-0.186	-0.029
Cl3	1.828	-0.677	-0.068
F4	0.771	1.634	-0.202
H5	0.607	0.591	1.493

	C1	Br2	Cl3	F4	H5
C1		1.9287	1.7603	1.3493	1.0888
Br2	1.9287		3.0685	2.6884	2.4867
Cl3	1.7603	3.0685		2.5446	2.3525
F4	1.3493	2.6884	2.5446		1.9969
H5	1.0888	2.4867	2.3525	1.9969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.492	Br2	C1	F4	108.911
Br2	C1	H5	107.726	Cl3	C1	F4	109.117
Cl3	C1	H5	109.035	F4	C1	H5	109.520

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBE1PBE/6-31+G**

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	-0.122
2	Br	-0.038
3	Cl	0.093
4	F	-0.169
5	H	0.236

	x	y	z	Total
	-0.046	-0.120	1.325	1.332
CHELPG
AIM
ESP

	x	y	z
x	8.438	-0.236	0.043
y	-0.236	5.836	0.210
z	0.043	0.210	5.037

<r²>	179.374
(<r²>)^1/2	13.393