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	hartrees
Energy at 0K	-2708.777730
Energy at 298.15K	-2708.783173
HF Energy	-2708.340838
Nuclear repulsion energy	163.917080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	2996	18.68
2	A'	1551	1477	0.51
3	A'	1378	1313	72.53
4	A'	1132	1078	159.64
5	A'	647	617	61.86
6	A'	311	296	0.54
7	A"	3230	3076	10.08
8	A"	1275	1214	2.78
9	A"	964	918	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.521	-1.126	0.000
F2	-0.591	-1.922	0.000
Br3	0.000	0.762	0.000
H4	1.099	-1.298	0.908
H5	1.099	-1.298	-0.908

	C1	F2	Br3	H4	H5
C1		1.3677	1.9585	1.0900	1.0900
F2	1.3677		2.7481	2.0180	2.0180
Br3	1.9585	2.7481		2.5045	2.5045
H4	1.0900	2.0180	2.5045		1.8161
H5	1.0900	2.0180	2.5045	1.8161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.155	F2	C1	H4	109.874
F2	C1	H5	109.874	Br3	C1	H4	107.008
Br3	C1	H5	107.008	H4	C1	H5	112.832

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

using model chemistry: QCISD/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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All results from a given calculation for CH2BrF (Methane, bromofluoro-)

using model chemistry: QCISD/6-31G*

States and conformations

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