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	hartrees
Energy at 0K	-2713.300869
Energy at 298.15K	-2713.306204
HF Energy	-2713.300869
Nuclear repulsion energy	161.178374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3011	2999	19.53
2	A'	1453	1447	0.53
3	A'	1279	1274	52.85
4	A'	1026	1022	195.88
5	A'	571	569	77.90
6	A'	285	283	1.00
7	A"	3096	3084	10.67
8	A"	1206	1201	2.78
9	A"	896	893	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.521	-1.155	0.000
F2	-0.591	-1.963	0.000
Br3	0.000	0.778	0.000
H4	1.097	-1.311	0.917
H5	1.097	-1.311	-0.917

	C1	F2	Br3	H4	H5
C1		1.3745	2.0022	1.0938	1.0938
F2	1.3745		2.8033	2.0289	2.0289
Br3	2.0022	2.8033		2.5312	2.5312
H4	1.0938	2.0289	2.5312		1.8334
H5	1.0938	2.0289	2.5312	1.8334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.867	F2	C1	H4	110.050
F2	C1	H5	110.050	Br3	C1	H4	105.926
Br3	C1	H5	105.926	H4	C1	H5	113.876

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

using model chemistry: BLYP/6-311G**

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	-0.015
2	F	-0.198
3	Br	-0.085
4	H	0.149
5	H	0.149

	x	y	z	Total
	1.696	-0.808	0.000	1.878
CHELPG
AIM
ESP

	x	y	z
x	3.315	-0.528	0.000
y	-0.528	6.106	0.000
z	0.000	0.000	3.063

<r²>	94.637
(<r²>)^1/2	9.728

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

using model chemistry: BLYP/6-311G**

States and conformations

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