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	hartrees
Energy at 0K	-5286.846659
Energy at 298.15K
HF Energy	-5286.846659
Nuclear repulsion energy	476.175433

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'	3150	3056	2.04	86.85	0.24	0.39
2	A'	1300	1261	19.81	5.08	0.71	0.83
3	A'	1113	1080	202.31	1.25	0.75	0.86
4	A'	607	589	25.83	10.81	0.13	0.23
5	A'	350	339	0.66	5.86	0.19	0.32
6	A'	166	161	0.00	5.11	0.49	0.66
7	A"	1163	1128	91.25	2.84	0.75	0.86
8	A"	671	651	218.68	4.64	0.75	0.86
9	A"	289	281	0.76	2.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.796	0.000
H2	-1.027	1.382	0.000
F3	0.972	1.608	0.000
Br4	-0.102	-0.295	1.628
Br5	-0.102	-0.295	-1.628

	C1	H2	F3	Br4	Br5
C1		1.0954	1.3457	1.9595	1.9595
H2	1.0954		2.0121	2.5134	2.5134
F3	1.3457	2.0121		2.7242	2.7242
Br4	1.9595	2.5134	2.7242		3.2553
Br5	1.9595	2.5134	2.7242	3.2553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.609	H2	C1	Br4	107.313
H2	C1	Br5	107.313	F3	C1	Br4	109.620
F3	C1	Br5	109.620	Br4	C1	Br5	112.326

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.081
2	H	0.109
3	F	-0.142
4	Br	-0.024
5	Br	-0.024

	x	y	z	Total
	-1.058	0.530	0.000	1.184
CHELPG
AIM
ESP

	x	y	z
x	4.045	0.174	0.000
y	0.174	5.340	0.000
z	0.000	0.000	8.991

<r²>	259.992
(<r²>)^1/2	16.124

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)