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	hartrees
Energy at 0K	-5257.499874
Energy at 298.15K
HF Energy	-5257.211438
Nuclear repulsion energy	464.539510

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'	3231	3084	7.96	85.77	0.26	0.42
2	A'	1353	1292	19.61	9.45	0.75	0.86
3	A'	1104	1054	127.81	3.04	0.70	0.82
4	A'	585	559	24.36	10.88	0.22	0.36
5	A'	325	310	1.70	6.10	0.30	0.47
6	A'	163	156	0.08	6.64	0.57	0.73
7	A"	1238	1182	96.75	8.68	0.75	0.86
8	A"	691	660	163.94	8.09	0.75	0.86
9	A"	277	264	0.02	3.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.106	0.810	0.000
H2	-1.025	1.384	0.000
F3	1.007	1.645	0.000
Br4	-0.106	-0.301	1.670
Br5	-0.106	-0.301	-1.670

	C1	H2	F3	Br4	Br5
C1		1.0835	1.3911	2.0056	2.0056
H2	1.0835		2.0480	2.5440	2.5440
F3	1.3911	2.0480		2.7951	2.7951
Br4	2.0056	2.5440	2.7951		3.3399
Br5	2.0056	2.5440	2.7951	3.3399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.098	H2	C1	Br4	107.069
H2	C1	Br5	107.069	F3	C1	Br4	109.417
F3	C1	Br5	109.417	Br4	C1	Br5	112.749

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: MP2/3-21G

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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All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)