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	hartrees
Energy at 0K	-3172.912389
Energy at 298.15K	-3172.917098
HF Energy	-3172.912389
Nuclear repulsion energy	321.441280

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	3179	3040	4.53	74.66	0.25	0.40
2	A	1354	1295	20.80	5.97	0.74	0.85
3	A	1248	1194	85.58	3.80	0.66	0.79
4	A	1127	1078	215.35	1.19	0.75	0.86
5	A	788	754	234.08	4.83	0.69	0.82
6	A	673	643	53.05	11.43	0.16	0.27
7	A	432	413	1.00	4.78	0.31	0.48
8	A	322	308	0.08	3.52	0.56	0.71
9	A	229	219	0.03	5.60	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.567	0.463	0.410
Br2	-1.205	-0.187	-0.028
Cl3	1.836	-0.680	-0.067
F4	0.773	1.637	-0.202
H5	0.613	0.593	1.487

	C1	Br2	Cl3	F4	H5
C1		1.9380	1.7728	1.3398	1.0855
Br2	1.9380		3.0806	2.6963	2.4916
Cl3	1.7728	3.0806		2.5526	2.3515
F4	1.3398	2.6963	2.5526		1.9921
H5	1.0855	2.4916	2.3515	1.9921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.159	Br2	C1	F4	109.330
Br2	C1	H5	107.624	Cl3	C1	F4	109.401
Cl3	C1	H5	108.298	F4	C1	H5	109.999

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: wB97X-D/6-311G**

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	-0.022
2	Br	0.012
3	Cl	-0.023
4	F	-0.176
5	H	0.209

	x	y	z	Total
	-0.155	-0.009	1.372	1.381
CHELPG
AIM
ESP

	x	y	z
x	7.697	-0.315	0.066
y	-0.315	4.677	0.371
z	0.066	0.371	3.678

<r²>	180.420
(<r²>)^1/2	13.432