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	hartrees
Energy at 0K	-2809.141638
Energy at 298.15K
HF Energy	-2809.010078
Nuclear repulsion energy	250.940909

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'	3238	3238	13.52	91.37	0.25	0.40
2	A'	1300	1300	96.66	6.28	0.73	0.84
3	A'	1050	1050	222.30	3.58	0.28	0.43
4	A'	668	668	119.74	14.30	0.36	0.53
5	A'	517	517	12.97	3.22	0.46	0.63
6	A'	294	294	0.25	6.79	0.43	0.60
7	A"	1360	1360	17.87	7.89	0.75	0.86
8	A"	1108	1108	177.03	3.47	0.75	0.86
9	A"	296	296	1.51	4.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.445	-0.929	0.000
H2	-1.526	-1.000	0.000
Br3	0.079	0.985	0.000
F4	0.079	-1.551	1.130
F5	0.079	-1.551	-1.130

	C1	H2	Br3	F4	F5
C1		1.0838	1.9851	1.3918	1.3918
H2	1.0838		2.5533	2.0388	2.0388
Br3	1.9851	2.5533		2.7766	2.7766
F4	1.3918	2.0388	2.7766		2.2592
F5	1.3918	2.0388	2.7766	2.2592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.043	H2	C1	F4	110.272
H2	C1	F5	110.272	Br3	C1	F4	109.360
Br3	C1	F5	109.360	F4	C1	F5	108.515

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

using model chemistry: B2PLYP=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 CHBrF2 (Methane, bromodifluoro-)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

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