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	hartrees
Energy at 0K	-2711.770338
Energy at 298.15K	-2711.775811
HF Energy	-2710.977048
Nuclear repulsion energy	166.020973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3136	3136
2	A'	1521	1521
3	A'	1359	1359
4	A'	1092	1092
5	A'	673	673
6	A'	319	319
7	A"	3191	3191
8	A"	1260	1260
9	A"	958	958

Atom	x (Å)	y (Å)	z (Å)
C1	0.517	-1.102	0.000
F2	-0.587	-1.901	0.000
Br3	0.000	0.751	0.000
H4	1.089	-1.278	0.902
H5	1.089	-1.278	-0.902

	C1	F2	Br3	H4	H5
C1		1.3623	1.9237	1.0826	1.0826
F2	1.3623		2.7156	2.0023	2.0023
Br3	1.9237	2.7156		2.4730	2.4730
H4	1.0826	2.0023	2.4730		1.8044
H5	1.0826	2.0023	2.4730	1.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.296	F2	C1	H4	109.437
F2	C1	H5	109.437	Br3	C1	H4	107.363
Br3	C1	H5	107.363	H4	C1	H5	112.900

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

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(T)=FULL/aug-cc-pVTZ

States and conformations

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