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	hartrees
Energy at 0K	-66.844088
Energy at 298.15K	-66.849098
HF Energy	-66.844088
Nuclear repulsion energy	66.822217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3373	3078	13.73
2	A'	1415	1292	136.33
3	A'	1132	1033	301.46
4	A'	754	688	111.31
5	A'	565	515	12.97
6	A'	333	304	2.37
7	A"	1455	1328	23.61
8	A"	1179	1075	247.94
9	A"	320	292	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.441	-0.906	0.000
H2	-1.512	-0.999	0.000
Br3	0.078	0.974	0.000
F4	0.078	-1.536	1.109
F5	0.078	-1.536	-1.109

	C1	H2	Br3	F4	F5
C1		1.0745	1.9502	1.3773	1.3773
H2	1.0745		2.5341	2.0117	2.0117
Br3	1.9502	2.5341		2.7439	2.7439
F4	1.3773	2.0117	2.7439		2.2174
F5	1.3773	2.0117	2.7439	2.2174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	110.445	H2	C1	F4	109.652
H2	C1	F5	109.652	Br3	C1	F4	109.907
Br3	C1	F5	109.907	F4	C1	F5	107.220

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: HF/CEP-121G

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	0.105
2	H	0.209
3	Br	0.175
4	F	-0.245
5	F	-0.245

	x	y	z	Total
	-2.148	0.868	0.000	2.317
CHELPG
AIM
ESP

	x	y	z
x	2.153	0.662	0.000
y	0.662	5.360	0.000
z	0.000	0.000	2.223

<r²>	84.377
(<r²>)^1/2	9.186

All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)