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	hartrees
Energy at 0K	-5285.868891
Energy at 298.15K
HF Energy	-5285.649402
Nuclear repulsion energy	479.133998

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'	3187	3187	0.05	74.34	0.20	0.33
2	A'	1300	1300	9.96	4.49	0.38	0.55
3	A'	1053	1053	176.64	2.98	0.57	0.73
4	A'	621	621	22.71	14.86	0.06	0.11
5	A'	356	356	0.19	6.36	0.10	0.19
6	A'	171	171	0.01	3.13	0.34	0.51
7	A"	1189	1189	77.65	1.39	0.75	0.86
8	A"	704	704	192.09	4.52	0.75	0.86
9	A"	295	295	0.00	1.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.104	0.787	0.000
H2	-1.007	1.400	0.000
F3	0.994	1.591	0.000
Br4	-0.104	-0.292	1.614
Br5	-0.104	-0.292	-1.614

	C1	H2	F3	Br4	Br5
C1		1.0914	1.3620	1.9417	1.9417
H2	1.0914		2.0106	2.5069	2.5069
F3	1.3620	2.0106		2.7132	2.7132
Br4	1.9417	2.5069	2.7132		3.2290
Br5	1.9417	2.5069	2.7132	3.2290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.581	H2	C1	Br4	108.193
H2	C1	Br5	108.193	F3	C1	Br4	109.164
F3	C1	Br5	109.164	Br4	C1	Br5	112.507

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

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: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)