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	hartrees
Energy at 0K	-3157.704351
Energy at 298.15K	-3157.708885
HF Energy	-3157.704351
Nuclear repulsion energy	312.893130

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	3221	3075	3.88	86.69	0.26	0.41
2	A	1336	1275	20.34	7.87	0.75	0.86
3	A	1236	1180	75.05	7.71	0.75	0.86
4	A	1150	1098	155.24	1.86	0.64	0.78
5	A	694	663	246.65	7.69	0.67	0.80
6	A	634	605	40.71	13.64	0.16	0.28
7	A	374	357	4.05	7.77	0.31	0.48
8	A	297	283	0.20	4.20	0.72	0.84
9	A	211	202	0.61	8.24	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.547	0.511	0.427
Br2	-1.229	-0.202	-0.030
Cl3	1.893	-0.699	-0.067
F4	0.771	1.698	-0.210
H5	0.616	0.600	1.505

	C1	Br2	Cl3	F4	H5
C1		1.9681	1.8760	1.3653	1.0838
Br2	1.9681		3.1625	2.7644	2.5300
Cl3	1.8760	3.1625		2.6505	2.4064
F4	1.3653	2.7644	2.6505		2.0418
H5	1.0838	2.5300	2.4064	2.0418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.689	Br2	C1	F4	110.761
Br2	C1	H5	108.493	Cl3	C1	F4	108.692
Cl3	C1	H5	105.646	F4	C1	H5	112.455

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: mPW1PW91/3-21G

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	-0.295
2	Br	0.164
3	Cl	0.039
4	F	-0.236
5	H	0.327

	x	y	z	Total
	-0.749	0.339	1.621	1.817
CHELPG
AIM
ESP

	x	y	z
x	7.203	-0.306	0.113
y	-0.306	3.772	0.423
z	0.113	0.423	2.477

<r²>	189.150
(<r²>)^1/2	13.753