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	hartrees
Energy at 0K	-3058.158922
Energy at 298.15K
HF Energy	-3058.095593
Nuclear repulsion energy	210.880222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3204	2.32
2	A'	1501	1501	0.42
3	A'	1276	1276	53.92
4	A'	654	654	117.58
5	A'	589	589	9.17
6	A'	212	212	0.59
7	A"	3299	3299	0.08
8	A"	1159	1159	0.04
9	A"	842	842	5.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.051	0.000
Br2	0.900	-0.709	0.000
Cl3	-1.883	0.903	0.000
H4	0.264	1.581	0.905
H5	0.264	1.581	-0.905

	C1	Br2	Cl3	H4	H5
C1		1.9761	1.8888	1.0813	1.0813
Br2	1.9761		3.2155	2.5425	2.5425
Cl3	1.8888	3.2155		2.4264	2.4264
H4	1.0813	2.5425	2.4264		1.8096
H5	1.0813	2.5425	2.4264	1.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.587	Br2	C1	H4	108.984
Br2	C1	H5	108.984	Cl3	C1	H4	106.362
Cl3	C1	H5	106.362	H4	C1	H5	113.601

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: B2PLYP=FULLultrafine/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 CH2BrCl (Methane, bromochloro-)

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

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)