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	hartrees
Energy at 0K	-3170.230777
Energy at 298.15K	-3170.235385
HF Energy	-3170.230777
Nuclear repulsion energy	316.055849

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	3256	3256	0.97	91.29	0.25	0.40
2	A	1331	1331	17.76	8.87	0.75	0.86
3	A	1247	1247	71.72	8.20	0.75	0.86
4	A	1115	1115	159.78	2.37	0.70	0.82
5	A	750	750	212.33	9.24	0.50	0.67
6	A	645	645	56.67	13.32	0.19	0.32
7	A	400	400	2.80	6.70	0.36	0.52
8	A	306	306	0.53	4.33	0.65	0.79
9	A	223	223	0.39	7.77	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.560	0.477	0.436
Br2	-1.217	-0.195	-0.030
Cl3	1.865	-0.692	-0.069
F4	0.770	1.681	-0.211
H5	0.612	0.612	1.509

	C1	Br2	Cl3	F4	H5
C1		1.9566	1.8231	1.3833	1.0825
Br2	1.9566		3.1222	2.7391	2.5228
Cl3	1.8231	3.1222		2.6181	2.4005
F4	1.3833	2.7391	2.6181		2.0308
H5	1.0825	2.5228	2.4005	2.0308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.341	Br2	C1	F4	108.982
Br2	C1	H5	108.786	Cl3	C1	F4	108.704
Cl3	C1	H5	108.727	F4	C1	H5	110.300

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: M06-2X/6-31G

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	-0.244
2	Br	0.144
3	Cl	0.101
4	F	-0.280
5	H	0.278

	x	y	z	Total
	-0.299	-0.144	1.766	1.797
CHELPG
AIM
ESP

	x	y	z
x	7.128	-0.232	0.134
y	-0.232	3.855	0.413
z	0.134	0.413	2.703

<r²>	185.699
(<r²>)^1/2	13.627