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	hartrees
Energy at 0K	-2810.433937
Energy at 298.15K	-2810.438925
HF Energy	-2809.731016
Nuclear repulsion energy	257.337536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3072	6.44
2	A'	1317	1270	87.33
3	A'	1117	1078	241.41
4	A'	735	708	96.94
5	A'	571	550	4.77
6	A'	332	320	0.34
7	A"	1369	1320	11.24
8	A"	1147	1106	197.41
9	A"	321	310	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.432	-0.902	0.000
H2	-1.526	-0.984	0.000
Br3	0.078	0.962	0.000
F4	0.078	-1.515	1.095
F5	0.078	-1.515	-1.095

	C1	H2	Br3	F4	F5
C1		1.0973	1.9329	1.3541	1.3541
H2	1.0973		2.5215	2.0133	2.0133
Br3	1.9329	2.5215		2.7085	2.7085
F4	1.3541	2.0133	2.7085		2.1892
F5	1.3541	2.0133	2.7085	2.1892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.531	H2	C1	F4	109.987
H2	C1	F5	109.987	Br3	C1	F4	109.721
Br3	C1	F5	109.721	F4	C1	F5	107.872

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

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

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