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	hartrees
Energy at 0K	-58.676582
Energy at 298.15K	-58.681174
HF Energy	-58.676582
Nuclear repulsion energy	60.174121

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	3225	3225	9.66	111.06	0.23	0.37
2	A	1311	1311	21.20	9.41	0.74	0.85
3	A	1243	1243	84.14	7.21	0.72	0.84
4	A	1038	1038	197.83	4.61	0.38	0.55
5	A	756	756	225.60	9.76	0.63	0.77
6	A	650	650	52.20	16.54	0.19	0.33
7	A	401	401	2.12	9.12	0.35	0.52
8	A	303	303	0.49	5.31	0.64	0.78
9	A	221	221	0.18	10.21	0.61	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.566	0.468	0.433
Br2	-1.236	-0.198	-0.030
Cl3	1.898	-0.694	-0.070
F4	0.775	1.700	-0.208
H5	0.619	0.614	1.515

	C1	Br2	Cl3	F4	H5
C1		1.9755	1.8380	1.4043	1.0925
Br2	1.9755		3.1728	2.7705	2.5468
Cl3	1.8380	3.1728		2.6477	2.4197
F4	1.4043	2.7705	2.6477		2.0422
H5	1.0925	2.5468	2.4197	2.0422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.557	Br2	C1	F4	108.938
Br2	C1	H5	108.783	Cl3	C1	F4	108.759
Cl3	C1	H5	108.635	F4	C1	H5	109.118

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: wB97X-D/CEP-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	-0.345
2	Br	0.151
3	Cl	0.049
4	F	-0.143
5	H	0.287

	x	y	z	Total
	-0.454	-0.345	1.812	1.900
CHELPG
AIM
ESP

	x	y	z
x	7.486	-0.207	0.121
y	-0.207	3.904	0.510
z	0.121	0.510	2.347

<r²>	94.326
(<r²>)^1/2	9.712