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	hartrees
Energy at 0K	-5277.327144
Energy at 298.15K
HF Energy	-5277.327144
Nuclear repulsion energy	476.703494

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'	3429	3096	0.57	95.67	0.25	0.40
2	A'	1425	1286	23.27	8.51	0.72	0.84
3	A'	1161	1048	172.57	6.43	0.75	0.86
4	A'	629	568	34.36	23.90	0.15	0.26
5	A'	358	324	1.62	8.97	0.25	0.40
6	A'	181	163	0.17	7.33	0.55	0.71
7	A"	1303	1177	113.88	7.57	0.75	0.86
8	A"	734	663	198.22	18.52	0.75	0.86
9	A"	306	277	0.80	4.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.108	0.797	0.000
H2	-0.979	1.414	0.000
F3	1.018	1.592	0.000
Br4	-0.108	-0.293	1.621
Br5	-0.108	-0.293	-1.621

	C1	H2	F3	Br4	Br5
C1		1.0678	1.3781	1.9535	1.9535
H2	1.0678		2.0053	2.5103	2.5103
F3	1.3781	2.0053		2.7293	2.7293
Br4	1.9535	2.5103	2.7293		3.2421
Br5	1.9535	2.5103	2.7293	3.2421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.487	H2	C1	Br4	108.803
H2	C1	Br5	108.803	F3	C1	Br4	108.780
F3	C1	Br5	108.780	Br4	C1	Br5	112.158

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: HF/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	-0.213
2	H	0.288
3	F	-0.368
4	Br	0.147
5	Br	0.147

	x	y	z	Total
	-1.930	0.280	0.000	1.950
CHELPG
AIM
ESP

	x	y	z
x	2.521	0.198	0.000
y	0.198	4.112	0.000
z	0.000	0.000	8.164

<r²>	260.020
(<r²>)^1/2	16.125

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)