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	hartrees
Energy at 0K	-2810.817263
Energy at 298.15K
HF Energy	-2809.836907
Nuclear repulsion energy	258.418644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3163	3163
2	A'	1321	1321
3	A'	1129	1129
4	A'	728	728
5	A'	585	585
6	A'	328	328
7	A"	1390	1390
8	A"	1166	1166
9	A"	317	317

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.907	0.000
H2	-1.508	-0.978	0.000
Br3	0.077	0.961	0.000
F4	0.077	-1.511	1.086
F5	0.077	-1.511	-1.086

	C1	H2	Br3	F4	F5
C1		1.0853	1.9342	1.3399	1.3399
H2	1.0853		2.5036	1.9935	1.9935
Br3	1.9342	2.5036		2.7000	2.7000
F4	1.3399	1.9935	2.7000		2.1720
F5	1.3399	1.9935	2.7000	2.1720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.743	H2	C1	F4	110.128
H2	C1	F5	110.128	Br3	C1	F4	109.772
Br3	C1	F5	109.772	F4	C1	F5	108.290

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

using model chemistry: QCISD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

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