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	hartrees
Energy at 0K	-5285.827072
Energy at 298.15K
HF Energy	-5285.628053
Nuclear repulsion energy	478.413738

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'	3182	3050	2.42	85.26	0.24	0.39
2	A'	1317	1262	20.03	5.00	0.71	0.83
3	A'	1114	1067	196.53	1.43	0.74	0.85
4	A'	621	595	25.03	10.65	0.12	0.22
5	A'	357	342	0.56	5.58	0.20	0.33
6	A'	170	163	0.00	4.74	0.50	0.66
7	A"	1186	1137	93.09	2.94	0.75	0.86
8	A"	699	670	206.12	5.04	0.75	0.86
9	A"	296	283	0.20	2.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.791	0.000
H2	-1.023	1.383	0.000
F3	0.975	1.603	0.000
Br4	-0.102	-0.294	1.618
Br5	-0.102	-0.294	-1.618

	C1	H2	F3	Br4	Br5
C1		1.0942	1.3486	1.9482	1.9482
H2	1.0942		2.0104	2.5051	2.5051
F3	1.3486	2.0104		2.7156	2.7156
Br4	1.9482	2.5051	2.7156		3.2360
Br5	1.9482	2.5051	2.7156	3.2360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.331	H2	C1	Br4	107.511
H2	C1	Br5	107.511	F3	C1	Br4	109.571
F3	C1	Br5	109.571	Br4	C1	Br5	112.304

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B2PLYP=FULL/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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)