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	hartrees
Energy at 0K	-2778.823062
Energy at 298.15K	-2778.827892
HF Energy	-2778.723481
Nuclear repulsion energy	250.977508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	2932	15.62
2	A'	1403	1247	106.43
3	A'	1203	1069	72.71
4	A'	769	684	57.10
5	A'	552	491	10.02
6	A'	341	303	0.42
7	A"	1493	1327	43.31
8	A"	1278	1136	32.27
9	A"	317	282	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.426	-0.921	0.000
H2	-1.556	-0.975	0.000
Br3	0.078	0.987	0.000
F4	0.078	-1.558	1.125
F5	0.078	-1.558	-1.125

	C1	H2	Br3	F4	F5
C1		1.1309	1.9733	1.3883	1.3883
H2	1.1309		2.5534	2.0677	2.0677
Br3	1.9733	2.5534		2.7832	2.7832
F4	1.3883	2.0677	2.7832		2.2508
F5	1.3883	2.0677	2.7832	2.2508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.562	H2	C1	F4	109.910
H2	C1	F5	109.910	Br3	C1	F4	110.569
Br3	C1	F5	110.569	F4	C1	F5	108.322

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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