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	hartrees
Energy at 0K	-2810.838134
Energy at 298.15K
HF Energy	-2809.874227
Nuclear repulsion energy	258.552242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3151	3047
2	A'	1312	1269
3	A'	1119	1082
4	A'	725	701
5	A'	581	562
6	A'	324	313
7	A"	1371	1326
8	A"	1149	1111
9	A"	315	305

Atom	x (Å)	y (Å)	z (Å)
C1	-0.427	-0.904	0.000
H2	-1.512	-0.975	0.000
Br3	0.077	0.959	0.000
F4	0.077	-1.509	1.087
F5	0.077	-1.509	-1.087

	C1	H2	Br3	F4	F5
C1		1.0870	1.9295	1.3428	1.3428
H2	1.0870		2.5028	1.9977	1.9977
Br3	1.9295	2.5028		2.6973	2.6973
F4	1.3428	1.9977	2.6973		2.1746
F5	1.3428	1.9977	2.6973	2.1746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.911	H2	C1	F4	110.158
H2	C1	F5	110.158	Br3	C1	F4	109.730
Br3	C1	F5	109.730	F4	C1	F5	108.143

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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)/aug-cc-pVTZ

States and conformations

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