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	hartrees
Energy at 0K	-653.820572
Energy at 298.15K
HF Energy	-652.916286
Nuclear repulsion energy	205.394976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3178	12.31
2	A'	1333	1333	95.80
3	A'	1154	1154	257.89
4	A'	739	739	103.55
5	A'	595	595	5.72
6	A'	332	332	0.07
7	A"	1406	1406	17.54
8	A"	1197	1197	197.50
9	A"	321	321	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.904	0.000
H2	-1.505	-0.972	0.000
Br3	0.076	0.957	0.000
F4	0.076	-1.505	1.082
F5	0.076	-1.505	-1.082

	C1	H2	Br3	F4	F5
C1		1.0842	1.9269	1.3346	1.3346
H2	1.0842		2.4943	1.9887	1.9887
Br3	1.9269	2.4943		2.6891	2.6891
F4	1.3346	1.9887	2.6891		2.1648
F5	1.3346	1.9887	2.6891	2.1648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.603	H2	C1	F4	110.179
H2	C1	F5	110.179	Br3	C1	F4	109.738
Br3	C1	F5	109.738	F4	C1	F5	108.398

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

using model chemistry: QCISD/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/cc-pVTZ-PP

States and conformations

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