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	hartrees
Energy at 0K	-5286.877963
Energy at 298.15K
HF Energy	-5286.877963
Nuclear repulsion energy	481.293834

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'	3180	3041	2.38	75.40	0.25	0.40
2	A'	1346	1287	20.00	5.65	0.71	0.83
3	A'	1124	1075	207.59	1.60	0.65	0.79
4	A'	634	606	25.86	11.43	0.12	0.22
5	A'	366	350	0.48	5.26	0.21	0.35
6	A'	173	166	0.00	4.49	0.51	0.67
7	A"	1214	1161	101.76	3.32	0.75	0.86
8	A"	728	697	210.06	5.57	0.75	0.86
9	A"	304	291	0.01	2.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.784	0.000
H2	-1.011	1.376	0.000
F3	0.970	1.589	0.000
Br4	-0.102	-0.291	1.610
Br5	-0.102	-0.291	-1.610

	C1	H2	F3	Br4	Br5
C1		1.0854	1.3402	1.9358	1.9358
H2	1.0854		1.9931	2.4896	2.4896
F3	1.3402	1.9931		2.6970	2.6970
Br4	1.9358	2.4896	2.6970		3.2194
Br5	1.9358	2.4896	2.6970	3.2194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.066	H2	C1	Br4	107.630
H2	C1	Br5	107.630	F3	C1	Br4	109.479
F3	C1	Br5	109.479	Br4	C1	Br5	112.514

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: wB97X-D/6-311G**

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	-0.048
2	H	0.204
3	F	-0.177
4	Br	0.010
5	Br	0.010

	x	y	z	Total
	-1.211	0.446	0.000	1.290
CHELPG
AIM
ESP

	x	y	z
x	4.146	0.175	0.000
y	0.175	5.415	0.000
z	0.000	0.000	9.043

<r²>	255.302
(<r²>)^1/2	15.978

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)