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	hartrees
Energy at 0K	-2807.870696
Energy at 298.15K	-2807.875685
HF Energy	-2807.226364
Nuclear repulsion energy	258.040278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3047	7.38
2	A'	1361	1268	108.34
3	A'	1144	1066	256.38
4	A'	732	682	110.88
5	A'	578	539	6.64
6	A'	330	307	0.27
7	A"	1409	1312	20.05
8	A"	1182	1101	213.26
9	A"	323	301	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.427	-0.916	0.000
H2	-1.509	-0.984	0.000
Br3	0.077	0.965	0.000
F4	0.077	-1.516	1.089
F5	0.077	-1.516	-1.089

	C1	H2	Br3	F4	F5
C1		1.0843	1.9467	1.3421	1.3421
H2	1.0843		2.5127	1.9961	1.9961
Br3	1.9467	2.5127		2.7099	2.7099
F4	1.3421	1.9961	2.7099		2.1786
F5	1.3421	1.9961	2.7099	2.1786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.620	H2	C1	F4	110.256
H2	C1	F5	110.256	Br3	C1	F4	109.594
Br3	C1	F5	109.594	F4	C1	F5	108.512

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

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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