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	hartrees
Energy at 0K	-5281.929679
Energy at 298.15K
HF Energy	-5281.929679
Nuclear repulsion energy	471.522441

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'	3094	3069	3.74	80.72	0.28	0.44
2	A'	1285	1274	21.24	5.67	0.74	0.85
3	A'	1079	1070	174.63	1.17	0.66	0.80
4	A'	580	575	25.43	10.48	0.10	0.19
5	A'	330	327	0.92	6.07	0.17	0.29
6	A'	161	160	0.00	4.88	0.44	0.61
7	A"	1136	1127	93.51	3.32	0.75	0.86
8	A"	617	612	221.74	3.23	0.75	0.86
9	A"	272	270	1.93	2.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.820	0.000
H2	-1.030	1.402	0.000
F3	0.984	1.630	0.000
Br4	-0.103	-0.300	1.639
Br5	-0.103	-0.300	-1.639

	C1	H2	F3	Br4	Br5
C1		1.0942	1.3559	1.9856	1.9856
H2	1.0942		2.0268	2.5385	2.5385
F3	1.3559	2.0268		2.7560	2.7560
Br4	1.9856	2.5385	2.7560		3.2788
Br5	1.9856	2.5385	2.7560	3.2788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.181	H2	C1	Br4	107.465
H2	C1	Br5	107.465	F3	C1	Br4	109.695
F3	C1	Br5	109.695	Br4	C1	Br5	111.309

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	0.126
2	H	0.205
3	F	-0.196
4	Br	-0.068
5	Br	-0.068

	x	y	z	Total
	-0.912	0.709	0.000	1.155
CHELPG
AIM
ESP

	x	y	z
x	4.840	0.205	0.000
y	0.205	5.990	0.000
z	0.000	0.000	9.733

<r²>	263.975
(<r²>)^1/2	16.247

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)