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	hartrees
Energy at 0K	-2708.728370
Energy at 298.15K	-2708.733856
HF Energy	-2708.341591
Nuclear repulsion energy	165.094498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	2981	17.89
2	A'	1589	1468	0.48
3	A'	1421	1312	78.87
4	A'	1172	1082	169.21
5	A'	674	623	65.38
6	A'	323	298	0.62
7	A"	3314	3061	8.43
8	A"	1312	1212	3.25
9	A"	991	915	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.517	-1.117	0.000
F2	-0.587	-1.908	0.000
Br3	0.000	0.756	0.000
H4	1.093	-1.291	0.902
H5	1.093	-1.291	-0.902

	C1	F2	Br3	H4	H5
C1		1.3585	1.9435	1.0836	1.0836
F2	1.3585		2.7285	2.0042	2.0042
Br3	1.9435	2.7285		2.4891	2.4891
H4	1.0836	2.0042	2.4891		1.8031
H5	1.0836	2.0042	2.4891	1.8031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.189	F2	C1	H4	109.798
F2	C1	H5	109.798	Br3	C1	H4	107.187
Br3	C1	H5	107.187	H4	C1	H5	112.609

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

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

States and conformations

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