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	hartrees
Energy at 0K	-5281.931326
Energy at 298.15K
HF Energy	-5281.931326
Nuclear repulsion energy	471.582430

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'	3085	3061	3.11	81.19	0.28	0.43
2	A'	1276	1266	19.56	5.64	0.74	0.85
3	A'	1079	1071	174.93	1.16	0.67	0.80
4	A'	580	575	25.52	10.44	0.10	0.19
5	A'	330	327	0.92	6.09	0.17	0.29
6	A'	161	160	0.00	4.87	0.44	0.61
7	A"	1128	1119	89.11	3.13	0.75	0.86
8	A"	617	612	222.27	3.24	0.75	0.86
9	A"	272	270	1.98	2.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.820	0.000
H2	-1.033	1.397	0.000
F3	0.983	1.631	0.000
Br4	-0.103	-0.300	1.639
Br5	-0.103	-0.300	-1.639

	C1	H2	F3	Br4	Br5
C1		1.0944	1.3557	1.9852	1.9852
H2	1.0944		2.0293	2.5361	2.5361
F3	1.3557	2.0293		2.7561	2.7561
Br4	1.9852	2.5361	2.7561		3.2784
Br5	1.9852	2.5361	2.7561	3.2784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.395	H2	C1	Br4	107.313
H2	C1	Br5	107.313	F3	C1	Br4	109.731
F3	C1	Br5	109.731	Br4	C1	Br5	111.323

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: BLYP/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	0.174
2	H	0.167
3	F	-0.199
4	Br	-0.071
5	Br	-0.071

	x	y	z	Total
	-0.909	0.707	0.000	1.151
CHELPG
AIM
ESP

	x	y	z
x	4.849	0.202	0.000
y	0.202	6.003	0.000
z	0.000	0.000	9.744

<r²>	263.922
(<r²>)^1/2	16.246

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)