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	hartrees
Energy at 0K	-2810.466328
Energy at 298.15K
HF Energy	-2809.729428
Nuclear repulsion energy	255.856335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3174	3100
2	A'	1326	1295
3	A'	1128	1102
4	A'	710	694
5	A'	565	552
6	A'	313	306
7	A"	1406	1373
8	A"	1180	1153
9	A"	311	304

Atom	x (Å)	y (Å)	z (Å)
C1	-0.436	-0.904	0.000
H2	-1.533	-0.988	0.000
Br3	0.078	0.966	0.000
F4	0.078	-1.523	1.104
F5	0.078	-1.523	-1.104

	C1	H2	Br3	F4	F5
C1		1.0999	1.9399	1.3662	1.3662
H2	1.0999		2.5327	2.0251	2.0251
Br3	1.9399	2.5327		2.7232	2.7232
F4	1.3662	2.0251	2.7232		2.2077
F5	1.3662	2.0251	2.7232	2.2077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.747	H2	C1	F4	109.944
H2	C1	F5	109.944	Br3	C1	F4	109.690
Br3	C1	F5	109.690	F4	C1	F5	107.798

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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