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	hartrees
Energy at 0K	-3173.069861
Energy at 298.15K	-3173.074545
HF Energy	-3173.069861
Nuclear repulsion energy	321.774691

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	3180	3047	0.20	75.30	0.21	0.34
2	A	1303	1249	9.55	3.31	0.52	0.68
3	A	1213	1162	60.70	1.97	0.38	0.56
4	A	1097	1051	187.02	1.98	0.72	0.84
5	A	787	755	199.01	3.81	0.58	0.74
6	A	665	638	55.41	13.84	0.09	0.16
7	A	428	410	0.66	4.51	0.15	0.26
8	A	315	302	0.02	2.61	0.42	0.59
9	A	226	217	0.02	3.26	0.41	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.460	0.415
Br2	-1.201	-0.186	-0.028
Cl3	1.825	-0.684	-0.068
F4	0.777	1.641	-0.204
H5	0.614	0.595	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9362	1.7657	1.3494	1.0925
Br2	1.9362		3.0675	2.6986	2.4967
Cl3	1.7657	3.0675		2.5539	2.3569
F4	1.3494	2.6986	2.5539		2.0039
H5	1.0925	2.4967	2.3569	2.0039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.832	Br2	C1	F4	109.134
Br2	C1	H5	107.769	Cl3	C1	F4	109.419
Cl3	C1	H5	108.810	F4	C1	H5	109.850

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.008
2	Br	0.323
3	Cl	-0.007
4	F	-0.332
5	H	0.008

	x	y	z	Total
	0.015	-0.057	1.232	1.233
CHELPG
AIM
ESP

	x	y	z
x	9.417	-0.214	0.051
y	-0.214	6.768	0.159
z	0.051	0.159	5.979

<r²>	179.703
(<r²>)^1/2	13.405