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	hartrees
Energy at 0K	-5286.887632
Energy at 298.15K
HF Energy	-5286.887632
Nuclear repulsion energy	478.292565

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'	3153	3049	0.07	69.85	0.21	0.34
2	A'	1318	1275	10.39	4.60	0.38	0.55
3	A'	1082	1046	184.80	3.07	0.48	0.65
4	A'	612	592	24.24	13.98	0.06	0.10
5	A'	354	343	0.26	6.61	0.10	0.18
6	A'	166	161	0.01	3.33	0.36	0.53
7	A"	1182	1143	77.56	1.43	0.75	0.86
8	A"	679	657	205.15	4.69	0.75	0.86
9	A"	294	284	0.26	1.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.790	0.000
H2	-1.010	1.379	0.000
F3	0.973	1.596	0.000
Br4	-0.102	-0.293	1.621
Br5	-0.102	-0.293	-1.621

	C1	H2	F3	Br4	Br5
C1		1.0828	1.3435	1.9493	1.9493
H2	1.0828		1.9947	2.4997	2.4997
F3	1.3435	1.9947		2.7111	2.7111
Br4	1.9493	2.4997	2.7111		3.2428
Br5	1.9493	2.4997	2.7111	3.2428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.125	H2	C1	Br4	107.593
H2	C1	Br5	107.593	F3	C1	Br4	109.464
F3	C1	Br5	109.464	Br4	C1	Br5	112.561

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.071
2	H	0.217
3	F	-0.269
4	Br	-0.009
5	Br	-0.009

	x	y	z	Total
	-1.073	0.422	0.000	1.153
CHELPG
AIM
ESP

	x	y	z
x	6.970	0.241	0.000
y	0.241	7.776	0.000
z	0.000	0.000	11.414

<r²>	258.638
(<r²>)^1/2	16.082

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)