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	hartrees
Energy at 0K	-2796.447317
Energy at 298.15K	-2796.452185
HF Energy	-2796.071737
Nuclear repulsion energy	249.762154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3077	31.05
2	A'	1351	1290	128.87
3	A'	1108	1058	216.97
4	A'	683	652	109.56
5	A'	543	518	12.53
6	A'	294	281	0.59
7	A"	1438	1373	31.53
8	A"	1198	1144	134.94
9	A"	294	281	2.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.436	-0.955	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		1.0835	2.0177	1.3781	1.3781
H2	1.0835		2.5535	2.0340	2.0340
Br3	2.0177	2.5535		2.7944	2.7944
F4	1.3781	2.0340	2.7944		2.2506
F5	1.3781	2.0340	2.7944	2.2506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.954	H2	C1	F4	110.874
H2	C1	F5	110.874	Br3	C1	F4	109.300
Br3	C1	F5	109.300	F4	C1	F5	109.484

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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