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	hartrees
Energy at 0K	-2810.629681
Energy at 298.15K
HF Energy	-2809.778952
Nuclear repulsion energy	259.145346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3026	7.16
2	A'	1338	1276	83.52
3	A'	1145	1092	255.19
4	A'	741	707	104.83
5	A'	592	565	5.09
6	A'	334	319	0.11
7	A"	1402	1337	10.96
8	A"	1178	1123	201.95
9	A"	322	307	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	-0.906	0.000
H2	-1.507	-0.982	0.000
Br3	0.076	0.959	0.000
F4	0.076	-1.507	1.081
F5	0.076	-1.507	-1.081

	C1	H2	Br3	F4	F5
C1		1.0861	1.9307	1.3342	1.3342
H2	1.0861		2.5046	1.9882	1.9882
Br3	1.9307	2.5046		2.6926	2.6926
F4	1.3342	1.9882	2.6926		2.1617
F5	1.3342	1.9882	2.6926	2.1617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.001	H2	C1	F4	110.041
H2	C1	F5	110.041	Br3	C1	F4	109.768
Br3	C1	F5	109.768	F4	C1	F5	108.213

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

using model chemistry: QCISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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