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	hartrees
Energy at 0K	-2796.767031
Energy at 298.15K	-2796.771950
HF Energy	-2796.294239
Nuclear repulsion energy	254.253759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3045	25.61
2	A'	1364	1293	116.85
3	A'	1106	1048	186.13
4	A'	726	689	130.68
5	A'	550	521	10.82
6	A'	316	299	0.11
7	A"	1444	1369	24.93
8	A"	1189	1127	120.17
9	A"	300	284	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.434	-0.911	0.000
H2	-1.518	-0.957	0.000
Br3	0.078	0.969	0.000
F4	0.078	-1.528	1.124
F5	0.078	-1.528	-1.124

	C1	H2	Br3	F4	F5
C1		1.0848	1.9484	1.3808	1.3808
H2	1.0848		2.5014	2.0340	2.0340
Br3	1.9484	2.5014		2.7382	2.7382
F4	1.3808	2.0340	2.7382		2.2483
F5	1.3808	2.0340	2.7382	2.2483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.680	H2	C1	F4	110.589
H2	C1	F5	110.589	Br3	C1	F4	109.480
Br3	C1	F5	109.480	F4	C1	F5	108.999

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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