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	hartrees
Energy at 0K	-653.936264
Energy at 298.15K
HF Energy	-652.915940
Nuclear repulsion energy	205.012549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3172	3172
2	A'	1317	1317
3	A'	1124	1124
4	A'	726	726
5	A'	584	584
6	A'	326	326
7	A"	1390	1390
8	A"	1163	1163
9	A"	317	317

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	-0.905	0.000
H2	-1.503	-0.972	0.000
Br3	0.076	0.958	0.000
F4	0.076	-1.507	1.087
F5	0.076	-1.507	-1.087

	C1	H2	Br3	F4	F5
C1		1.0809	1.9288	1.3388	1.3388
H2	1.0809		2.4936	1.9897	1.9897
Br3	1.9288	2.4936		2.6932	2.6932
F4	1.3388	1.9897	2.6932		2.1732
F5	1.3388	1.9897	2.6932	2.1732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.595	H2	C1	F4	110.173
H2	C1	F5	110.173	Br3	C1	F4	109.693
Br3	C1	F5	109.693	F4	C1	F5	108.507

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

using model chemistry: MP4=FULL/cc-pVTZ-PP

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: MP4=FULL/cc-pVTZ-PP

States and conformations

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