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	hartrees
Energy at 0K	-653.929576
Energy at 298.15K
HF Energy	-652.916227
Nuclear repulsion energy	205.266254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3175	3175
2	A'	1323	1323
3	A'	1139	1139
4	A'	728	728
5	A'	589	589
6	A'	328	328
7	A"	1400	1400
8	A"	1181	1181
9	A"	318	318

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.905	0.000
H2	-1.501	-0.973	0.000
Br3	0.076	0.957	0.000
F4	0.076	-1.505	1.084
F5	0.076	-1.505	-1.084

	C1	H2	Br3	F4	F5
C1		1.0804	1.9284	1.3357	1.3357
H2	1.0804		2.4929	1.9867	1.9867
Br3	1.9284	2.4929		2.6905	2.6905
F4	1.3357	1.9867	2.6905		2.1679
F5	1.3357	1.9867	2.6905	2.1679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.597	H2	C1	F4	110.177
H2	C1	F5	110.177	Br3	C1	F4	109.695
Br3	C1	F5	109.695	F4	C1	F5	108.494

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

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/cc-pVTZ-PP

States and conformations

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