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	hartrees
Energy at 0K	-2811.106927
Energy at 298.15K
HF Energy	-2809.893948
Nuclear repulsion energy	260.919819

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'	3199	3059	5.18	79.70	0.20	0.33
2	A'	1327	1270	76.63	4.14	0.09	0.17
3	A'	1130	1081	255.95	1.12	0.75	0.86
4	A'	752	719	108.16	13.19	0.11	0.19
5	A'	589	564	4.52	2.03	0.17	0.29
6	A'	338	323	0.11	4.21	0.23	0.37
7	A"	1387	1326	7.21	2.42	0.75	0.86
8	A"	1153	1103	207.27	1.61	0.75	0.86
9	A"	322	308	0.13	0.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.422	-0.890	0.000
H2	-1.501	-0.963	0.000
Br3	0.076	0.949	0.000
F4	0.076	-1.494	1.082
F5	0.076	-1.494	-1.082

	C1	H2	Br3	F4	F5
C1		1.0817	1.9050	1.3355	1.3355
H2	1.0817		2.4780	1.9850	1.9850
Br3	1.9050	2.4780		2.6718	2.6718
F4	1.3355	1.9850	2.6718		2.1642
F5	1.3355	1.9850	2.6718	2.1642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.999	H2	C1	F4	109.965
H2	C1	F5	109.965	Br3	C1	F4	109.830
Br3	C1	F5	109.830	F4	C1	F5	108.241

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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