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	hartrees
Energy at 0K	-2796.438604
Energy at 298.15K	-2796.443472
HF Energy	-2796.071707
Nuclear repulsion energy	249.714097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3076	31.10
2	A'	1351	1289	128.98
3	A'	1107	1057	217.15
4	A'	682	651	109.92
5	A'	542	518	12.56
6	A'	294	281	0.60
7	A"	1438	1372	31.52
8	A"	1198	1144	135.07
9	A"	294	280	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.436	-0.956	0.000
H2	-1.519	-0.997	0.000
Br3	0.078	0.996	0.000
F4	0.078	-1.562	1.125
F5	0.078	-1.562	-1.125

	C1	H2	Br3	F4	F5
C1		1.0836	2.0183	1.3782	1.3782
H2	1.0836		2.5539	2.0343	2.0343
Br3	2.0183	2.5539		2.7949	2.7949
F4	1.3782	2.0343	2.7949		2.2509
F5	1.3782	2.0343	2.7949	2.2509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.944	H2	C1	F4	110.878
H2	C1	F5	110.878	Br3	C1	F4	109.299
Br3	C1	F5	109.299	F4	C1	F5	109.489

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: MP2/3-21G

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 CHBrF2 (Methane, bromodifluoro-)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)