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	hartrees
Energy at 0K	-5280.991094
Energy at 298.15K
HF Energy	-5280.991094
Nuclear repulsion energy	477.425167

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'	3090	3047	2.35	80.94	0.27	0.43
2	A'	1272	1254	18.48	5.47	0.74	0.85
3	A'	1107	1092	172.89	1.06	0.64	0.78
4	A'	598	590	25.08	9.71	0.10	0.18
5	A'	341	336	0.77	5.36	0.18	0.31
6	A'	166	164	0.00	4.35	0.45	0.62
7	A"	1135	1119	81.17	3.24	0.75	0.86
8	A"	647	638	218.84	2.77	0.75	0.86
9	A"	280	277	1.06	2.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.810	0.000
H2	-1.033	1.391	0.000
F3	0.979	1.617	0.000
Br4	-0.102	-0.297	1.616
Br5	-0.102	-0.297	-1.616

	C1	H2	F3	Br4	Br5
C1		1.0968	1.3494	1.9588	1.9588
H2	1.0968		2.0249	2.5152	2.5152
F3	1.3494	2.0249		2.7284	2.7284
Br4	1.9588	2.5152	2.7284		3.2312
Br5	1.9588	2.5152	2.7284	3.2312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.328	H2	C1	Br4	107.420
H2	C1	Br5	107.420	F3	C1	Br4	109.753
F3	C1	Br5	109.753	Br4	C1	Br5	111.132

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: PBEPBE/6-31G**

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	0.122
2	H	0.193
3	F	-0.191
4	Br	-0.062
5	Br	-0.062

	x	y	z	Total
	-0.900	0.697	0.000	1.138
CHELPG
AIM
ESP

	x	y	z
x	4.858	0.189	0.000
y	0.189	5.967	0.000
z	0.000	0.000	9.505

<r²>	257.746
(<r²>)^1/2	16.054

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)