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	hartrees
Energy at 0K	-3172.218230
Energy at 298.15K	-3172.222887
HF Energy	-3172.007394
Nuclear repulsion energy	319.741889

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	3186	3186	0.15	76.42	0.21	0.34
2	A	1305	1305	9.80	3.27	0.52	0.68
3	A	1218	1218	64.02	2.06	0.40	0.57
4	A	1057	1057	182.39	2.31	0.75	0.85
5	A	773	773	195.96	4.55	0.58	0.73
6	A	657	657	54.42	14.41	0.09	0.17
7	A	421	421	0.61	5.01	0.15	0.26
8	A	311	311	0.02	2.82	0.43	0.60
9	A	225	225	0.02	3.52	0.41	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.459	0.419
Br2	-1.209	-0.187	-0.029
Cl3	1.838	-0.687	-0.069
F4	0.781	1.652	-0.204
H5	0.618	0.599	1.501

	C1	Br2	Cl3	F4	H5
C1		1.9462	1.7764	1.3623	1.0921
Br2	1.9462		3.0884	2.7158	2.5091
Cl3	1.7764	3.0884		2.5706	2.3673
F4	1.3623	2.7158	2.5706		2.0111
H5	1.0921	2.5091	2.3673	2.0111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.038	Br2	C1	F4	109.061
Br2	C1	H5	108.016	Cl3	C1	F4	109.256
Cl3	C1	H5	108.883	F4	C1	H5	109.554

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP/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	0.131
2	Br	0.317
3	Cl	-0.010
4	F	-0.364
5	H	-0.073

	x	y	z	Total
	-0.034	-0.125	1.252	1.258
CHELPG
AIM
ESP

	x	y	z
x	9.496	-0.211	0.054
y	-0.211	6.810	0.161
z	0.054	0.161	5.981

<r²>	182.051
(<r²>)^1/2	13.493