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	hartrees
Energy at 0K	-2710.879636
Energy at 298.15K	-2710.885106
HF Energy	-2710.879636
Nuclear repulsion energy	165.593346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3001	13.01
2	A'	1502	1430	0.29
3	A'	1362	1297	61.11
4	A'	1134	1079	197.11
5	A'	663	631	74.27
6	A'	324	308	0.61
7	A"	3240	3085	2.53
8	A"	1262	1202	3.32
9	A"	963	917	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.519	-1.109	0.000
F2	-0.588	-1.900	0.000
Br3	0.000	0.753	0.000
H4	1.090	-1.290	0.909
H5	1.090	-1.290	-0.909

	C1	F2	Br3	H4	H5
C1		1.3611	1.9331	1.0883	1.0883
F2	1.3611		2.7174	2.0041	2.0041
Br3	1.9331	2.7174		2.4875	2.4875
H4	1.0883	2.0041	2.4875		1.8172
H5	1.0883	2.0041	2.4875	1.8172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	109.943	F2	C1	H4	109.300
F2	C1	H5	109.300	Br3	C1	H4	107.518
Br3	C1	H5	107.518	H4	C1	H5	113.208

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

using model chemistry: M06-2X/6-31+G**

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	-0.006
2	F	-0.252
3	Br	-0.120
4	H	0.189
5	H	0.189

	x	y	z	Total
	1.871	-0.639	0.000	1.977
CHELPG
AIM
ESP

	x	y	z
x	4.041	-0.385	0.000
y	-0.385	6.007	0.000
z	0.000	0.000	3.826

<r²>	90.464
(<r²>)^1/2	9.511

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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