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	hartrees
Energy at 0K	-2708.532365
Energy at 298.15K	-2708.537920
HF Energy	-2708.532365
Nuclear repulsion energy	167.598982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	2955	24.00
2	A'	1639	1484	0.38
3	A'	1476	1337	72.77
4	A'	1223	1108	186.86
5	A'	707	640	74.28
6	A'	345	313	0.54
7	A"	3343	3027	9.45
8	A"	1372	1242	4.11
9	A"	1037	939	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.507	-1.103	0.000
F2	-0.579	-1.875	0.000
Br3	0.000	0.745	0.000
H4	1.085	-1.284	0.892
H5	1.085	-1.284	-0.892

	C1	F2	Br3	H4	H5
C1		1.3325	1.9163	1.0774	1.0774
F2	1.3325		2.6824	1.9780	1.9780
Br3	1.9163	2.6824		2.4669	2.4669
H4	1.0774	1.9780	2.4669		1.7835
H5	1.0774	1.9780	2.4669	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.008	F2	C1	H4	109.870
F2	C1	H5	109.870	Br3	C1	H4	107.661
Br3	C1	H5	107.661	H4	C1	H5	111.716

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

using model chemistry: HF/6-31G(2df,p)

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	-0.062
2	F	-0.227
3	Br	-0.068
4	H	0.178
5	H	0.178

	x	y	z	Total
	1.702	-0.808	0.000	1.884
CHELPG
AIM
ESP

	x	y	z
x	4.075	-0.400	0.000
y	-0.400	5.702	0.000
z	0.000	0.000	3.942

<r²>	88.391
(<r²>)^1/2	9.402

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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