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	hartrees
Energy at 0K	-2810.766922
Energy at 298.15K	-2810.771956
HF Energy	-2809.870993
Nuclear repulsion energy	259.588565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	2973	12.28
2	A'	1346	1256	97.40
3	A'	1169	1092	258.56
4	A'	746	696	102.92
5	A'	600	560	6.06
6	A'	336	314	0.10
7	A"	1417	1323	19.67
8	A"	1214	1133	198.35
9	A"	325	303	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.421	-0.905	0.000
H2	-1.503	-0.974	0.000
Br3	0.076	0.957	0.000
F4	0.076	-1.505	1.080
F5	0.076	-1.505	-1.080

	C1	H2	Br3	F4	F5
C1		1.0840	1.9272	1.3317	1.3317
H2	1.0840		2.4944	1.9853	1.9853
Br3	1.9272	2.4944		2.6883	2.6883
F4	1.3317	1.9853	2.6883		2.1600
F5	1.3317	1.9853	2.6883	2.1600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.600	H2	C1	F4	110.114
H2	C1	F5	110.114	Br3	C1	F4	109.807
Br3	C1	F5	109.807	F4	C1	F5	108.391

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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