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	hartrees
Energy at 0K	-5281.732940
Energy at 298.15K
HF Energy	-5281.732940
Nuclear repulsion energy	475.935790

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'	3255	3255	0.52	95.93	0.24	0.39
2	A'	1321	1321	17.65	9.29	0.75	0.86
3	A'	1109	1109	157.14	2.35	0.72	0.83
4	A'	608	608	32.64	13.67	0.17	0.30
5	A'	345	345	1.53	6.44	0.31	0.48
6	A'	174	174	0.14	6.68	0.58	0.73
7	A"	1214	1214	82.12	8.24	0.75	0.86
8	A"	693	693	214.27	7.24	0.75	0.86
9	A"	291	291	0.14	3.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.108	0.807	0.000
H2	-1.000	1.420	0.000
F3	1.022	1.607	0.000
Br4	-0.108	-0.296	1.618
Br5	-0.108	-0.296	-1.618

	C1	H2	F3	Br4	Br5
C1		1.0824	1.3851	1.9585	1.9585
H2	1.0824		2.0310	2.5219	2.5219
F3	1.3851	2.0310		2.7422	2.7422
Br4	1.9585	2.5219	2.7422		3.2367
Br5	1.9585	2.5219	2.7422	3.2367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.187	H2	C1	Br4	108.607
H2	C1	Br5	108.607	F3	C1	Br4	108.993
F3	C1	Br5	108.993	Br4	C1	Br5	111.448

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: M06-2X/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	-0.290
2	H	0.282
3	F	-0.280
4	Br	0.144
5	Br	0.144

	x	y	z	Total
	-1.662	0.438	0.000	1.718
CHELPG
AIM
ESP

	x	y	z
x	2.659	0.231	0.000
y	0.231	4.261	0.000
z	0.000	0.000	8.047

<r²>	259.907
(<r²>)^1/2	16.122

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)