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	hartrees
Energy at 0K	-2796.453826
Energy at 298.15K	-2796.458672
HF Energy	-2796.071440
Nuclear repulsion energy	249.239872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3073	29.63
2	A'	1329	1288	123.01
3	A'	1105	1071	199.43
4	A'	670	649	98.26
5	A'	538	521	12.66
6	A'	290	281	0.32
7	A"	1424	1380	33.23
8	A"	1201	1164	121.75
9	A"	290	281	2.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.438	-0.961	0.000
H2	-1.525	-1.003	0.000
Br3	0.078	0.998	0.000
F4	0.078	-1.566	1.125
F5	0.078	-1.566	-1.125

	C1	H2	Br3	F4	F5
C1		1.0870	2.0261	1.3782	1.3782
H2	1.0870		2.5640	2.0378	2.0378
Br3	2.0261	2.5640		2.8001	2.8001
F4	1.3782	2.0378	2.8001		2.2507
F5	1.3782	2.0378	2.8001	2.2507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.997	H2	C1	F4	110.958
H2	C1	F5	110.958	Br3	C1	F4	109.196
Br3	C1	F5	109.196	F4	C1	F5	109.476

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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