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	hartrees
Energy at 0K	-3071.190739
Energy at 298.15K	-3071.195881
HF Energy	-3071.190739
Nuclear repulsion energy	213.147046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3064	3047	3.92
2	A'	1414	1406	0.21
3	A'	1224	1218	70.91
4	A'	665	661	117.01
5	A'	552	549	58.15
6	A'	211	210	0.19
7	A"	3153	3136	0.39
8	A"	1115	1109	0.00
9	A"	833	829	3.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.040	0.000
Br2	0.858	-0.749	0.000
Cl3	-1.806	0.992	0.000
H4	0.331	1.545	0.911
H5	0.331	1.545	-0.911

	C1	Br2	Cl3	H4	H5
C1		1.9841	1.8063	1.0928	1.0928
Br2	1.9841		3.1822	2.5239	2.5239
Cl3	1.8063	3.1822		2.3876	2.3876
H4	1.0928	2.5239	2.3876		1.8215
H5	1.0928	2.5239	2.3876	1.8215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	114.101	Br2	C1	H4	106.603
Br2	C1	H5	106.603	Cl3	C1	H4	108.366
Cl3	C1	H5	108.366	H4	C1	H5	112.908

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

using model chemistry: BLYP/6-31+G**

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	-0.397
2	Br	-0.073
3	Cl	0.031
4	H	0.220
5	H	0.220

	x	y	z	Total
	0.907	1.442	0.000	1.704
CHELPG
AIM
ESP

	x	y	z
x	8.180	-1.714	0.000
y	-1.714	7.025	0.000
z	0.000	0.000	5.059

<r²>	154.393
(<r²>)^1/2	12.426

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

using model chemistry: BLYP/6-31+G**

States and conformations

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