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	hartrees
Energy at 0K	-3056.351717
Energy at 298.15K	-3056.356890
HF Energy	-3056.151179
Nuclear repulsion energy	209.693276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3085	3.39
2	A'	1502	1460	0.33
3	A'	1275	1239	45.96
4	A'	667	649	72.15
5	A'	579	563	7.20
6	A'	210	204	0.56
7	A"	3261	3171	0.07
8	A"	1154	1122	0.03
9	A"	834	811	4.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.058	0.000
Br2	0.904	-0.714	0.000
Cl3	-1.892	0.908	0.000
H4	0.267	1.593	0.907
H5	0.267	1.593	-0.907

	C1	Br2	Cl3	H4	H5
C1		1.9893	1.8982	1.0860	1.0860
Br2	1.9893		3.2325	2.5588	2.5588
Cl3	1.8982	3.2325		2.4398	2.4398
H4	1.0860	2.5588	2.4398		1.8141
H5	1.0860	2.5588	2.4398	1.8141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.492	Br2	C1	H4	109.058
Br2	C1	H5	109.058	Cl3	C1	H4	106.490
Cl3	C1	H5	106.490	H4	C1	H5	113.284

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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