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	hartrees
Energy at 0K	-2807.844143
Energy at 298.15K
HF Energy	-2807.225732
Nuclear repulsion energy	257.317989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3027	8.05
2	A'	1349	1259	107.36
3	A'	1126	1051	255.57
4	A'	727	679	110.77
5	A'	571	533	6.39
6	A'	327	305	0.24
7	A"	1395	1303	18.61
8	A"	1161	1084	217.72
9	A"	319	298	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.433	-0.904	0.000
H2	-1.515	-0.990	0.000
Br3	0.078	0.963	0.000
F4	0.078	-1.515	1.095
F5	0.078	-1.515	-1.095

	C1	H2	Br3	F4	F5
C1		1.0848	1.9348	1.3541	1.3541
H2	1.0848		2.5197	2.0023	2.0023
Br3	1.9348	2.5197		2.7090	2.7090
F4	1.3541	2.0023	2.7090		2.1892
F5	1.3541	2.0023	2.7090	2.1892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.889	H2	C1	F4	109.878
H2	C1	F5	109.878	Br3	C1	F4	109.646
Br3	C1	F5	109.646	F4	C1	F5	107.875

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

using model chemistry: CCSD/6-31+G**

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: CCSD/6-31+G**

States and conformations

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