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	hartrees
Energy at 0K	-3073.649981
Energy at 298.15K	-3073.655121
HF Energy	-3073.649981
Nuclear repulsion energy	213.039117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3056	3045	6.20
2	A'	1403	1398	0.26
3	A'	1216	1211	60.34
4	A'	657	655	114.68
5	A'	547	545	61.97
6	A'	213	213	0.15
7	A"	3141	3129	0.02
8	A"	1110	1105	0.14
9	A"	822	819	5.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.042	0.000
Br2	0.859	-0.749	0.000
Cl3	-1.806	0.993	0.000
H4	0.327	1.546	0.908
H5	0.327	1.546	-0.908

	C1	Br2	Cl3	H4	H5
C1		1.9866	1.8068	1.0894	1.0894
Br2	1.9866		3.1838	2.5255	2.5255
Cl3	1.8068	3.1838		2.3841	2.3841
H4	1.0894	2.5255	2.3841		1.8169
H5	1.0894	2.5255	2.3841	1.8169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	114.050	Br2	C1	H4	106.710
Br2	C1	H5	106.710	Cl3	C1	H4	108.243
Cl3	C1	H5	108.243	H4	C1	H5	113.002

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

using model chemistry: BLYP/6-311G**

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	-0.352
2	Br	-0.016
3	Cl	-0.043
4	H	0.206
5	H	0.206

	x	y	z	Total
	0.974	1.377	0.000	1.687
CHELPG
AIM
ESP

	x	y	z
x	7.307	-1.877	0.000
y	-1.877	6.003	0.000
z	0.000	0.000	3.543

<r²>	154.480
(<r²>)^1/2	12.429

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

using model chemistry: BLYP/6-311G**

States and conformations

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