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	hartrees
Energy at 0K	-3170.339637
Energy at 298.15K	-3170.344295
HF Energy	-3170.339637
Nuclear repulsion energy	321.249279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3053	0.71
2	A	1321	1268	14.45
3	A	1241	1192	74.11
4	A	1090	1047	208.33
5	A	776	745	218.25
6	A	655	629	67.99
7	A	426	409	0.96
8	A	314	301	0.05
9	A	225	216	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.568	0.453	0.415
Br2	-1.205	-0.186	-0.029
Cl3	1.836	-0.679	-0.068
F4	0.774	1.640	-0.202
H5	0.609	0.592	1.494

	C1	Br2	Cl3	F4	H5
C1		1.9368	1.7668	1.3533	1.0887
Br2	1.9368		3.0810	2.6987	2.4930
Cl3	1.7668	3.0810		2.5538	2.3582
F4	1.3533	2.6987	2.5538		2.0005
H5	1.0887	2.4930	2.3582	2.0005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.505	Br2	C1	F4	108.929
Br2	C1	H5	107.651	Cl3	C1	F4	109.149
Cl3	C1	H5	109.032	F4	C1	H5	109.534

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3PW91/6-31+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	-0.105
2	Br	-0.045
3	Cl	0.087
4	F	-0.168
5	H	0.231

	x	y	z	Total
	-0.040	-0.121	1.325	1.331
CHELPG
AIM
ESP

	x	y	z
x	8.526	-0.240	0.043
y	-0.240	5.863	0.211
z	0.043	0.211	5.031

<r²>	180.516
(<r²>)^1/2	13.436