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	hartrees
Energy at 0K	-2810.863279
Energy at 298.15K	-2810.868289
HF Energy	-2809.745195
Nuclear repulsion energy	258.568736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3042	19.25
2	A'	1361	1289	120.13
3	A'	1142	1081	277.61
4	A'	742	702	125.76
5	A'	592	560	7.20
6	A'	332	315	0.19
7	A"	1426	1350	23.47
8	A"	1181	1119	222.92
9	A"	326	309	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.422	-0.909	0.000
H2	-1.507	-0.985	0.000
Br3	0.076	0.960	0.000
F4	0.076	-1.509	1.087
F5	0.076	-1.509	-1.087

	C1	H2	Br3	F4	F5
C1		1.0875	1.9342	1.3379	1.3379
H2	1.0875		2.5078	1.9908	1.9908
Br3	1.9342	2.5078		2.6974	2.6974
F4	1.3379	1.9908	2.6974		2.1741
F5	1.3379	1.9908	2.6974	2.1741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.942	H2	C1	F4	109.901
H2	C1	F5	109.901	Br3	C1	F4	109.704
Br3	C1	F5	109.704	F4	C1	F5	108.678

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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