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	hartrees
Energy at 0K	-2810.801519
Energy at 298.15K
HF Energy	-2809.875875
Nuclear repulsion energy	259.930065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3202	5.97
2	A'	1339	1339	85.30
3	A'	1165	1165	253.71
4	A'	747	747	102.78
5	A'	598	598	5.53
6	A'	335	335	0.16
7	A"	1409	1409	15.07
8	A"	1203	1203	195.72
9	A"	323	323	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.902	0.000
H2	-1.504	-0.972	0.000
Br3	0.076	0.955	0.000
F4	0.076	-1.502	1.079
F5	0.076	-1.502	-1.079

	C1	H2	Br3	F4	F5
C1		1.0832	1.9228	1.3323	1.3323
H2	1.0832		2.4920	1.9862	1.9862
Br3	1.9228	2.4920		2.6837	2.6837
F4	1.3323	1.9862	2.6837		2.1586
F5	1.3323	1.9862	2.6837	2.1586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.761	H2	C1	F4	110.198
H2	C1	F5	110.198	Br3	C1	F4	109.734
Br3	C1	F5	109.734	F4	C1	F5	108.209

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

using model chemistry: MP3/daug-cc-pVTZ

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: MP3/daug-cc-pVTZ

States and conformations

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