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	hartrees
Energy at 0K	-2778.822578
Energy at 298.15K	-2778.827407
HF Energy	-2778.723469
Nuclear repulsion energy	250.962689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	2875	15.61
2	A'	1402	1223	106.44
3	A'	1203	1049	72.76
4	A'	769	671	57.12
5	A'	552	481	10.03
6	A'	341	297	0.42
7	A"	1493	1301	43.31
8	A"	1278	1114	32.29
9	A"	317	276	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.426	-0.921	0.000
H2	-1.556	-0.975	0.000
Br3	0.078	0.987	0.000
F4	0.078	-1.558	1.125
F5	0.078	-1.558	-1.125

	C1	H2	Br3	F4	F5
C1		1.1310	1.9735	1.3883	1.3883
H2	1.1310		2.5535	2.0679	2.0679
Br3	1.9735	2.5535		2.7833	2.7833
F4	1.3883	2.0679	2.7833		2.2509
F5	1.3883	2.0679	2.7833	2.2509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.559	H2	C1	F4	109.913
H2	C1	F5	109.913	Br3	C1	F4	110.566
Br3	C1	F5	110.566	F4	C1	F5	108.324

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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