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	hartrees
Energy at 0K	-2708.788150
Energy at 298.15K	-2708.793608
HF Energy	-2708.341109
Nuclear repulsion energy	164.566903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	2994	16.76
2	A'	1563	1473	0.45
3	A'	1392	1311	72.59
4	A'	1130	1065	158.72
5	A'	660	622	64.85
6	A'	315	297	0.52
7	A"	3271	3082	7.50
8	A"	1283	1209	2.72
9	A"	975	919	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.520	-1.118	0.000
F2	-0.590	-1.916	0.000
Br3	0.000	0.758	0.000
H4	1.097	-1.288	0.906
H5	1.097	-1.288	-0.906

	C1	F2	Br3	H4	H5
C1		1.3670	1.9469	1.0876	1.0876
F2	1.3670		2.7389	2.0154	2.0154
Br3	1.9469	2.7389		2.4920	2.4920
H4	1.0876	2.0154	2.4920		1.8119
H5	1.0876	2.0154	2.4920	1.8119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.250	F2	C1	H4	109.860
F2	C1	H5	109.860	Br3	C1	H4	106.987
Br3	C1	H5	106.987	H4	C1	H5	112.812

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: MP2=FULL/6-31G*

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 CH2BrF (Methane, bromofluoro-)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)