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	hartrees
Energy at 0K	-2810.916169
Energy at 298.15K
HF Energy	-2809.892846
Nuclear repulsion energy	260.010414

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'	3191	3026	6.82	77.74	0.21	0.35
2	A'	1328	1260	80.26	2.76	0.16	0.27
3	A'	1128	1070	255.64	1.36	0.73	0.84
4	A'	746	708	116.15	11.11	0.17	0.29
5	A'	588	558	5.06	1.98	0.22	0.36
6	A'	335	318	0.05	4.32	0.28	0.43
7	A"	1389	1317	9.01	2.65	0.75	0.86
8	A"	1157	1097	204.97	1.38	0.75	0.86
9	A"	323	306	0.17	1.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.897	0.000
H2	-1.504	-0.967	0.000
Br3	0.076	0.953	0.000
F4	0.076	-1.500	1.084
F5	0.076	-1.500	-1.084

	C1	H2	Br3	F4	F5
C1		1.0836	1.9162	1.3368	1.3368
H2	1.0836		2.4867	1.9890	1.9890
Br3	1.9162	2.4867		2.6815	2.6815
F4	1.3368	1.9890	2.6815		2.1680
F5	1.3368	1.9890	2.6815	2.1680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.792	H2	C1	F4	110.084
H2	C1	F5	110.084	Br3	C1	F4	109.756
Br3	C1	F5	109.756	F4	C1	F5	108.362

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

using model chemistry: MP2/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/cc-pVQZ

States and conformations

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