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	hartrees
Energy at 0K	-5286.108177
Energy at 298.15K
HF Energy	-5285.742515
Nuclear repulsion energy	481.270237

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'	3184	3184	0.17	73.56	0.22	0.36
2	A'	1331	1331	12.35	3.60	0.57	0.72
3	A'	1089	1089	181.78	2.08	0.66	0.79
4	A'	627	627	22.95	10.69	0.08	0.15
5	A'	361	361	0.25	5.37	0.15	0.27
6	A'	170	170	0.00	3.42	0.44	0.61
7	A"	1203	1203	79.86	1.30	0.75	0.86
8	A"	711	711	191.42	5.44	0.75	0.86
9	A"	299	299	0.01	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.785	0.000
H2	-1.006	1.377	0.000
F3	0.976	1.593	0.000
Br4	-0.102	-0.292	1.608
Br5	-0.102	-0.292	-1.608

	C1	H2	F3	Br4	Br5
C1		1.0807	1.3475	1.9350	1.9350
H2	1.0807		1.9937	2.4876	2.4876
F3	1.3475	1.9937		2.7021	2.7021
Br4	1.9350	2.4876	2.7021		3.2153
Br5	1.9350	2.4876	2.7021	3.2153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.892	H2	C1	Br4	107.762
H2	C1	Br5	107.762	F3	C1	Br4	109.505
F3	C1	Br5	109.505	Br4	C1	Br5	112.369

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B2PLYP=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)