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	hartrees
Energy at 0K	-5281.639989
Energy at 298.15K
HF Energy	-5281.639989
Nuclear repulsion energy	475.155654

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'	3239	3239	1.74	94.69	0.24	0.39
2	A'	1319	1319	14.70	8.94	0.75	0.86
3	A'	1069	1069	165.33	2.07	0.72	0.84
4	A'	606	606	30.89	13.96	0.17	0.29
5	A'	343	343	1.45	6.91	0.30	0.46
6	A'	172	172	0.10	6.86	0.57	0.73
7	A"	1216	1216	79.21	7.91	0.75	0.86
8	A"	688	688	196.36	7.86	0.75	0.86
9	A"	286	286	0.10	4.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.107	0.808	0.000
H2	-1.004	1.417	0.000
F3	1.018	1.622	0.000
Br4	-0.107	-0.298	1.619
Br5	-0.107	-0.298	-1.619

	C1	H2	F3	Br4	Br5
C1		1.0839	1.3897	1.9607	1.9607
H2	1.0839		2.0326	2.5232	2.5232
F3	1.3897	2.0326		2.7527	2.7527
Br4	1.9607	2.5232	2.7527		3.2384
Br5	1.9607	2.5232	2.7527	3.2384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.899	H2	C1	Br4	108.480
H2	C1	Br5	108.480	F3	C1	Br4	109.308
F3	C1	Br5	109.308	Br4	C1	Br5	111.347

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: wB97X-D/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	-0.302
2	H	0.285
3	F	-0.267
4	Br	0.142
5	Br	0.142

	x	y	z	Total
	-1.638	0.393	0.000	1.685
CHELPG
AIM
ESP

	x	y	z
x	2.678	0.276	0.000
y	0.276	4.329	0.000
z	0.000	0.000	8.106

<r²>	260.299
(<r²>)^1/2	16.134

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)