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	hartrees
Energy at 0K	-2710.817457
Energy at 298.15K	-2710.822800
HF Energy	-2710.817457
Nuclear repulsion energy	161.273277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3016	2993	20.11
2	A'	1474	1462	0.75
3	A'	1289	1279	61.11
4	A'	1069	1061	173.44
5	A'	579	574	70.58
6	A'	285	283	0.87
7	A"	3100	3076	14.18
8	A"	1212	1203	2.33
9	A"	901	895	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.518	-1.157	0.000
F2	-0.591	-1.961	0.000
Br3	0.000	0.777	0.000
H4	1.104	-1.305	0.916
H5	1.104	-1.305	-0.916

	C1	F2	Br3	H4	H5
C1		1.3700	2.0023	1.0971	1.0971
F2	1.3700		2.8012	2.0347	2.0347
Br3	2.0023	2.8012		2.5285	2.5285
H4	1.0971	2.0347	2.5285		1.8323
H5	1.0971	2.0347	2.5285	1.8323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.939	F2	C1	H4	110.636
F2	C1	H5	110.636	Br3	C1	H4	105.586
Br3	C1	H5	105.586	H4	C1	H5	113.237

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: BLYP/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	0.102
2	F	-0.234
3	Br	-0.139
4	H	0.136
5	H	0.136

	x	y	z	Total
	1.504	-0.928	0.000	1.767
CHELPG
AIM
ESP

	x	y	z
x	3.576	-0.421	0.000
y	-0.421	5.870	0.000
z	0.000	0.000	3.398

<r²>	94.128
(<r²>)^1/2	9.702

All results from a given calculation for CH2BrF (Methane, bromofluoro-)

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

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)