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	hartrees
Energy at 0K	-2798.162931
Energy at 298.15K
HF Energy	-2798.037568
Nuclear repulsion energy	250.278989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3049	29.40
2	A'	1323	1260	117.88
3	A'	1105	1052	225.35
4	A'	673	640	117.70
5	A'	541	515	12.64
6	A'	290	276	1.11
7	A"	1419	1351	31.16
8	A"	1193	1136	141.53
9	A"	290	276	1.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.435	-0.959	0.000
H2	-1.518	-0.989	0.000
Br3	0.078	0.995	0.000
F4	0.078	-1.559	1.120
F5	0.078	-1.559	-1.120

	C1	H2	Br3	F4	F5
C1		1.0830	2.0199	1.3706	1.3706
H2	1.0830		2.5461	2.0314	2.0314
Br3	2.0199	2.5461		2.7890	2.7890
F4	1.3706	2.0314	2.7890		2.2400
F5	1.3706	2.0314	2.7890	2.2400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.322	H2	C1	F4	111.232
H2	C1	F5	111.232	Br3	C1	F4	109.184
Br3	C1	F5	109.184	F4	C1	F5	109.602

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

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

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