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	hartrees
Energy at 0K	-3073.680018
Energy at 298.15K	-3073.685150
HF Energy	-3073.680018
Nuclear repulsion energy	212.832302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3062	3054	5.01
2	A'	1408	1404	0.28
3	A'	1212	1209	66.06
4	A'	658	657	108.58
5	A'	543	542	61.72
6	A'	210	210	0.20
7	A"	3149	3141	0.02
8	A"	1100	1097	0.00
9	A"	822	820	3.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.044	0.000
Br2	0.859	-0.750	0.000
Cl3	-1.808	0.994	0.000
H4	0.329	1.546	0.907
H5	0.329	1.546	-0.907

	C1	Br2	Cl3	H4	H5
C1		1.9893	1.8090	1.0881	1.0881
Br2	1.9893		3.1869	2.5254	2.5254
Cl3	1.8090	3.1869		2.3868	2.3868
H4	1.0881	2.5254	2.3868		1.8150
H5	1.0881	2.5254	2.3868	1.8150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.995	Br2	C1	H4	106.593
Br2	C1	H5	106.593	Cl3	C1	H4	108.370
Cl3	C1	H5	108.370	H4	C1	H5	113.027

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

using model chemistry: BLYP/TZVP

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	-0.208
2	Br	-0.082
3	Cl	-0.067
4	H	0.179
5	H	0.179

	x	y	z	Total
	0.862	1.440	0.000	1.678
CHELPG
AIM
ESP

	x	y	z
x	7.445	-1.879	0.000
y	-1.879	6.500	0.000
z	0.000	0.000	4.052

<r²>	154.567
(<r²>)^1/2	12.432

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

using model chemistry: BLYP/TZVP

States and conformations

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