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	hartrees
Energy at 0K	-2714.553504
Energy at 298.15K	-2714.558869
HF Energy	-2714.553504
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	2990	23.70
2	A'	1466	1445	0.67
3	A'	1296	1278	55.80
4	A'	1055	1040	207.64
5	A'	582	573	80.27
6	A'	292	288	1.10
7	A"	3121	3077	13.77
8	A"	1223	1205	3.02
9	A"	912	899	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.516	-1.145	0.000
F2	-0.587	-1.947	0.000
Br3	0.000	0.771	0.000
H4	1.093	-1.302	0.914
H5	1.093	-1.302	-0.914

	C1	F2	Br3	H4	H5
C1		1.3635	1.9841	1.0922	1.0922
F2	1.3635		2.7808	2.0181	2.0181
Br3	1.9841	2.7808		2.5151	2.5151
H4	1.0922	2.0181	2.5151		1.8278
H5	1.0922	2.0181	2.5151	1.8278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.976	F2	C1	H4	110.046
F2	C1	H5	110.046	Br3	C1	H4	106.022
Br3	C1	H5	106.022	H4	C1	H5	113.599

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

using model chemistry: B97D3/6-311G**

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	-0.009
2	F	-0.203
3	Br	-0.094
4	H	0.153
5	H	0.153

	x	y	z	Total
	1.701	-0.839	0.000	1.896
CHELPG
AIM
ESP

	x	y	z
x	3.270	-0.518	0.000
y	-0.518	5.959	0.000
z	0.000	0.000	3.027

<r²>	93.203
(<r²>)^1/2	9.654

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

using model chemistry: B97D3/6-311G**

States and conformations

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