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	hartrees
Energy at 0K	-3058.158921
Energy at 298.15K	-3058.164100
HF Energy	-3058.095592
Nuclear repulsion energy	210.874079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3050	2.32
2	A'	1501	1429	0.42
3	A'	1277	1216	54.02
4	A'	655	624	117.45
5	A'	589	561	9.19
6	A'	212	201	0.59
7	A"	3299	3141	0.08
8	A"	1159	1103	0.04
9	A"	842	801	5.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.051	0.000
Br2	0.899	-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		1.9764	1.8886	1.0813	1.0813
Br2	1.9764		3.2155	2.5427	2.5427
Cl3	1.8886	3.2155		2.4264	2.4264
H4	1.0813	2.5427	2.4264		1.8097
H5	1.0813	2.5427	2.4264	1.8097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.582	Br2	C1	H4	108.978
Br2	C1	H5	108.978	Cl3	C1	H4	106.372
Cl3	C1	H5	106.372	H4	C1	H5	113.601

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

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 CH2BrCl (Methane, bromochloro-)

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

States and conformations

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