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	hartrees
Energy at 0K	-3170.312488
Energy at 298.15K	-3170.317134
HF Energy	-3170.312488
Nuclear repulsion energy	320.923113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3048	4.77
2	A	1350	1291	22.58
3	A	1243	1189	79.48
4	A	1150	1100	186.02
5	A	770	737	210.34
6	A	652	624	73.35
7	A	424	406	1.33
8	A	309	296	0.35
9	A	225	216	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.577	0.468	0.413
Br2	-1.206	-0.186	-0.028
Cl3	1.831	-0.686	-0.067
F4	0.781	1.641	-0.204
H5	0.610	0.595	1.494

	C1	Br2	Cl3	F4	H5
C1		1.9495	1.7708	1.3409	1.0885
Br2	1.9495		3.0779	2.7047	2.4950
Cl3	1.7708	3.0779		2.5566	2.3592
F4	1.3409	2.7047	2.5566		2.0016
H5	1.0885	2.4950	2.3592	2.0016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.562	Br2	C1	F4	109.171
Br2	C1	H5	106.982	Cl3	C1	F4	109.720
Cl3	C1	H5	108.844	F4	C1	H5	110.532

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3PW91/6-31G*

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	0.015
2	Br	-0.064
3	Cl	0.021
4	F	-0.220
5	H	0.248

	x	y	z	Total
	0.029	0.181	1.275	1.289
CHELPG
AIM
ESP

	x	y	z
x	7.650	-0.306	0.047
y	-0.306	4.923	0.296
z	0.047	0.296	4.058

<r²>	180.199
(<r²>)^1/2	13.424