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	hartrees
Energy at 0K	-2698.330817
Energy at 298.15K	-2698.336240
HF Energy	-2697.969301
Nuclear repulsion energy	162.008657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3100	2980	19.44
2	A'	1574	1513	0.87
3	A'	1389	1335	61.78
4	A'	1084	1042	91.76
5	A'	644	619	54.46
6	A'	295	284	1.10
7	A"	3167	3044	14.26
8	A"	1263	1214	1.64
9	A"	970	932	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.530	-1.125	0.000
F2	-0.602	-1.958	0.000
Br3	0.000	0.770	0.000
H4	1.120	-1.285	0.905
H5	1.120	-1.285	-0.905

	C1	F2	Br3	H4	H5
C1		1.4059	1.9672	1.0913	1.0913
F2	1.4059		2.7929	2.0581	2.0581
Br3	1.9672	2.7929		2.5083	2.5083
H4	1.0913	2.0581	2.5083		1.8092
H5	1.0913	2.0581	2.5083	1.8092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.688	F2	C1	H4	110.376
F2	C1	H5	110.376	Br3	C1	H4	106.658
Br3	C1	H5	106.658	H4	C1	H5	111.964

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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