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	hartrees
Energy at 0K	-2708.789271
Energy at 298.15K	-2708.794738
HF Energy	-2708.344996
Nuclear repulsion energy	164.471146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	2990	20.00
2	A'	1565	1467	0.96
3	A'	1397	1310	77.88
4	A'	1151	1079	156.13
5	A'	661	620	56.38
6	A'	316	296	0.64
7	A"	3277	3072	10.71
8	A"	1290	1209	3.31
9	A"	972	911	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.518	-1.121	0.000
F2	-0.589	-1.918	0.000
Br3	0.000	0.759	0.000
H4	1.096	-1.292	0.902
H5	1.096	-1.292	-0.902

	C1	F2	Br3	H4	H5
C1		1.3641	1.9506	1.0845	1.0845
F2	1.3641		2.7408	2.0112	2.0112
Br3	1.9506	2.7408		2.4943	2.4943
H4	1.0845	2.0112	2.4943		1.8038
H5	1.0845	2.0112	2.4943	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.301	F2	C1	H4	109.914
F2	C1	H5	109.914	Br3	C1	H4	107.051
Br3	C1	H5	107.051	H4	C1	H5	112.530

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

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

States and conformations

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