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	hartrees
Energy at 0K	-2810.711160
Energy at 298.15K
HF Energy	-2809.819871
Nuclear repulsion energy	257.962065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3209	3057	11.77	81.60	0.24	0.39
2	A'	1351	1287	111.13	2.45	0.56	0.71
3	A'	1130	1077	284.19	2.17	0.56	0.72
4	A'	735	700	123.57	10.99	0.31	0.48
5	A'	593	565	6.82	1.95	0.37	0.54
6	A'	330	315	0.13	5.07	0.40	0.57
7	A"	1415	1348	18.37	4.57	0.75	0.86
8	A"	1159	1104	235.17	1.65	0.75	0.86
9	A"	322	307	0.40	2.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.910	0.000
H2	-1.505	-0.981	0.000
Br3	0.076	0.963	0.000
F4	0.076	-1.515	1.087
F5	0.076	-1.515	-1.087

	C1	H2	Br3	F4	F5
C1		1.0847	1.9383	1.3406	1.3406
H2	1.0847		2.5065	1.9919	1.9919
Br3	1.9383	2.5065		2.7063	2.7063
F4	1.3406	1.9919	2.7063		2.1742
F5	1.3406	1.9919	2.7063	2.1742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.708	H2	C1	F4	109.977
H2	C1	F5	109.977	Br3	C1	F4	109.905
Br3	C1	F5	109.905	F4	C1	F5	108.363

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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