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	hartrees
Energy at 0K	-3170.613867
Energy at 298.15K	-3170.618510
HF Energy	-3170.613867
Nuclear repulsion energy	321.762587

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	3142	3032	2.75	70.01	0.26	0.41
2	A	1333	1287	14.84	4.26	0.70	0.82
3	A	1220	1177	65.34	2.70	0.59	0.74
4	A	1130	1090	163.63	1.01	0.75	0.86
5	A	743	717	204.55	3.73	0.59	0.74
6	A	658	635	50.18	10.40	0.09	0.17
7	A	419	404	0.99	4.97	0.19	0.32
8	A	316	305	0.13	2.58	0.48	0.65
9	A	220	212	0.03	3.72	0.45	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.557	0.472	0.413
Br2	-1.200	-0.192	-0.028
Cl3	1.839	-0.675	-0.067
F4	0.753	1.641	-0.204
H5	0.612	0.597	1.492

	C1	Br2	Cl3	F4	H5
C1		1.9291	1.7866	1.3362	1.0881
Br2	1.9291		3.0777	2.6839	2.4932
Cl3	1.7866	3.0777		2.5621	2.3575
F4	1.3362	2.6839	2.5621		1.9975
H5	1.0881	2.4932	2.3575	1.9975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.791	Br2	C1	F4	109.207
Br2	C1	H5	108.187	Cl3	C1	F4	109.411
Cl3	C1	H5	107.694	F4	C1	H5	110.540

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	-0.036
2	Br	0.027
3	Cl	-0.109
4	F	-0.062
5	H	0.179

	x	y	z	Total
	-0.073	0.237	1.156	1.183
CHELPG
AIM
ESP

	x	y	z
x	8.511	-0.314	0.036
y	-0.314	5.830	0.236
z	0.036	0.236	5.056

<r²>	179.574
(<r²>)^1/2	13.401