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	hartrees
Energy at 0K	-2811.830193
Energy at 298.15K	-2811.825242
HF Energy	-2809.416790
Nuclear repulsion energy	260.599325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3403	3206	23.22
2	A'	1451	1367	155.17
3	A'	1245	1173	316.79
4	A'	774	729	140.92
5	A'	627	591	9.34
6	A'	346	326	0.13
7	A"	1542	1453	41.11
8	A"	1310	1235	208.77
9	A"	343	323	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.923	0.000
H2	-1.514	-0.980	0.000
Br3	0.077	0.966	0.000
F4	0.077	-1.516	1.095
F5	0.077	-1.516	-1.095

	C1	H2	Br3	F4	F5
C1		1.0900	1.9549	1.3424	1.3424
H2	1.0900		2.5134	2.0038	2.0038
Br3	1.9549	2.5134		2.7129	2.7129
F4	1.3424	2.0038	2.7129		2.1899
F5	1.3424	2.0038	2.7129	2.1899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.653	H2	C1	F4	110.291
H2	C1	F5	110.291	Br3	C1	F4	109.544
Br3	C1	F5	109.544	F4	C1	F5	108.506

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

using model chemistry: G3

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: G3

States and conformations

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