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	hartrees
Energy at 0K	-2711.347706
Energy at 298.15K	-2711.353176
HF Energy	-2710.859758
Nuclear repulsion energy	164.689790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3119	2986	23.15
2	A'	1534	1468	0.26
3	A'	1391	1331	71.48
4	A'	1124	1076	180.57
5	A'	661	633	61.17
6	A'	320	306	0.63
7	A"	3200	3064	11.29
8	A"	1286	1231	4.17
9	A"	971	930	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.118	0.000
F2	-0.586	-1.916	0.000
Br3	0.000	0.759	0.000
H4	1.092	-1.300	0.906
H5	1.092	-1.300	-0.906

	C1	F2	Br3	H4	H5
C1		1.3594	1.9464	1.0898	1.0898
F2	1.3594		2.7376	2.0042	2.0042
Br3	1.9464	2.7376		2.5006	2.5006
H4	1.0898	2.0042	2.5006		1.8126
H5	1.0898	2.0042	2.5006	1.8126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.559	F2	C1	H4	109.342
F2	C1	H5	109.342	Br3	C1	H4	107.519
Br3	C1	H5	107.519	H4	C1	H5	112.536

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

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

using model chemistry: QCISD/6-311G*

States and conformations

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