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	hartrees
Energy at 0K	-3071.381051
Energy at 298.15K	-3071.386294
HF Energy	-3071.381051
Nuclear repulsion energy	218.082809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	3017	3.73
2	A'	1450	1399	0.07
3	A'	1252	1208	51.36
4	A'	718	693	101.20
5	A'	616	595	27.90
6	A'	225	218	0.25
7	A"	3208	3096	0.17
8	A"	1144	1104	0.00
9	A"	858	828	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.017	0.000
Br2	0.848	-0.714	0.000
Cl3	-1.783	0.929	0.000
H4	0.310	1.542	0.898
H5	0.310	1.542	-0.898

	C1	Br2	Cl3	H4	H5
C1		1.9269	1.7851	1.0860	1.0860
Br2	1.9269		3.1018	2.4871	2.4871
Cl3	1.7851	3.1018		2.3584	2.3584
H4	1.0860	2.4871	2.3584		1.7967
H5	1.0860	2.4871	2.3584	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.309	Br2	C1	H4	108.002
Br2	C1	H5	108.002	Cl3	C1	H4	107.974
Cl3	C1	H5	107.974	H4	C1	H5	111.638

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

using model chemistry: B3LYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.302
2	Br	0.026
3	Cl	-0.112
4	H	0.194
5	H	0.194

	x	y	z	Total
	0.919	1.297	0.000	1.589
CHELPG
AIM
ESP

	x	y	z
x	7.571	-1.391	0.000
y	-1.391	6.444	0.000
z	0.000	0.000	4.816

<r²>	147.456
(<r²>)^1/2	12.143

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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