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	hartrees
Energy at 0K	-3172.937850
Energy at 298.15K	-3172.942560
HF Energy	-3172.937850
Nuclear repulsion energy	322.665329

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	3159	3159	0.25	68.66	0.21	0.34
2	A	1342	1342	10.68	3.56	0.48	0.65
3	A	1238	1238	61.78	2.25	0.34	0.50
4	A	1115	1115	187.21	2.12	0.64	0.78
5	A	796	796	196.01	3.46	0.69	0.82
6	A	674	674	48.26	14.37	0.08	0.16
7	A	434	434	0.63	4.41	0.14	0.24
8	A	321	321	0.03	2.65	0.40	0.57
9	A	228	228	0.01	3.02	0.39	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.459	0.409
Br2	-1.200	-0.185	-0.028
Cl3	1.823	-0.681	-0.067
F4	0.777	1.632	-0.202
H5	0.613	0.592	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9339	1.7596	1.3385	1.0849
Br2	1.9339		3.0636	2.6910	2.4862
Cl3	1.7596	3.0636		2.5421	2.3437
F4	1.3385	2.6910	2.5421		1.9883
H5	1.0849	2.4862	2.3437	1.9883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.003	Br2	C1	F4	109.284
Br2	C1	H5	107.542	Cl3	C1	F4	109.521
Cl3	C1	H5	108.632	F4	C1	H5	109.823

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	0.163
2	Br	-0.011
3	Cl	-0.151
4	F	-0.212
5	H	0.211

	x	y	z	Total
	0.004	-0.065	1.207	1.209
CHELPG
AIM
ESP

	x	y	z
x	9.373	-0.204	0.047
y	-0.204	6.810	0.144
z	0.047	0.144	6.088

<r²>	178.981
(<r²>)^1/2	13.378