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	hartrees
Energy at 0K	-2710.355100
Energy at 298.15K	-2710.360543
HF Energy	-2710.355100
Nuclear repulsion energy	164.953931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3120	2978	18.79
2	A'	1515	1446	0.61
3	A'	1348	1287	61.32
4	A'	1152	1100	177.12
5	A'	644	615	68.36
6	A'	311	297	0.45
7	A"	3207	3061	9.52
8	A"	1262	1205	2.41
9	A"	948	905	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.510	-1.121	0.000
F2	-0.583	-1.914	0.000
Br3	0.000	0.758	0.000
H4	1.094	-1.281	0.906
H5	1.094	-1.281	-0.906

	C1	F2	Br3	H4	H5
C1		1.3504	1.9469	1.0901	1.0901
F2	1.3504		2.7349	2.0091	2.0091
Br3	1.9469	2.7349		2.4849	2.4849
H4	1.0901	2.0091	2.4849		1.8124
H5	1.0901	2.0091	2.4849	1.8124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.782	F2	C1	H4	110.368
F2	C1	H5	110.368	Br3	C1	H4	106.360
Br3	C1	H5	106.360	H4	C1	H5	112.466

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

using model chemistry: HSEh1PBE/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	0.066
2	F	-0.264
3	Br	-0.137
4	H	0.168
5	H	0.168

	x	y	z	Total
	1.600	-0.821	0.000	1.799
CHELPG
AIM
ESP

	x	y	z
x	3.498	-0.428	0.000
y	-0.428	5.503	0.000
z	0.000	0.000	3.348

<r²>	90.620
(<r²>)^1/2	9.519

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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