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	hartrees
Energy at 0K	-2708.822997
Energy at 298.15K	-2708.828451
HF Energy	-2708.366074
Nuclear repulsion energy	164.280076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3010	15.27
2	A'	1537	1453	0.45
3	A'	1385	1309	71.75
4	A'	1082	1023	187.45
5	A'	655	619	63.86
6	A'	315	298	0.86
7	A"	3275	3096	3.53
8	A"	1265	1196	3.38
9	A"	973	920	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.526	-1.114	0.000
F2	-0.594	-1.920	0.000
Br3	0.000	0.759	0.000
H4	1.092	-1.301	0.906
H5	1.092	-1.301	-0.906

	C1	F2	Br3	H4	H5
C1		1.3800	1.9450	1.0847	1.0847
F2	1.3800		2.7439	2.0116	2.0116
Br3	1.9450	2.7439		2.5014	2.5014
H4	1.0847	2.0116	2.5014		1.8121
H5	1.0847	2.0116	2.5014	1.8121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.065	F2	C1	H4	108.821
F2	C1	H5	108.821	Br3	C1	H4	107.909
Br3	C1	H5	107.909	H4	C1	H5	113.293

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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