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	hartrees
Energy at 0K	-2810.652093
Energy at 298.15K
HF Energy	-2809.838126
Nuclear repulsion energy	261.334643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3293	10.20
2	A'	1394	1394	103.91
3	A'	1205	1205	283.25
4	A'	773	773	114.19
5	A'	619	619	6.29
6	A'	349	349	0.13
7	A"	1465	1465	18.27
8	A"	1249	1249	214.77
9	A"	336	336	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.418	-0.899	0.000
H2	-1.491	-0.968	0.000
Br3	0.076	0.951	0.000
F4	0.076	-1.495	1.072
F5	0.076	-1.495	-1.072

	C1	H2	Br3	F4	F5
C1		1.0752	1.9145	1.3225	1.3225
H2	1.0752		2.4777	1.9703	1.9703
Br3	1.9145	2.4777		2.6709	2.6709
F4	1.3225	1.9703	2.6709		2.1440
F5	1.3225	1.9703	2.6709	2.1440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.668	H2	C1	F4	110.087
H2	C1	F5	110.087	Br3	C1	F4	109.848
Br3	C1	F5	109.848	F4	C1	F5	108.297

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

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

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