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	hartrees
Energy at 0K	-3067.035129
Energy at 298.15K	-3067.040361
HF Energy	-3067.035129
Nuclear repulsion energy	219.289036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3071	3013	2.76
2	A'	1415	1389	0.69
3	A'	1219	1196	43.74
4	A'	748	734	104.42
5	A'	612	601	38.69
6	A'	228	224	0.24
7	A"	3152	3093	0.65
8	A"	1126	1105	0.07
9	A"	834	819	5.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.016	0.000
Br2	0.834	-0.720	0.000
Cl3	-1.758	0.942	0.000
H4	0.336	1.535	0.906
H5	0.336	1.535	-0.906

	C1	Br2	Cl3	H4	H5
C1		1.9258	1.7591	1.0973	1.0973
Br2	1.9258		3.0791	2.4804	2.4804
Cl3	1.7591	3.0791		2.3574	2.3574
H4	1.0973	2.4804	2.3574		1.8129
H5	1.0973	2.4804	2.3574	1.8129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.282	Br2	C1	H4	107.057
Br2	C1	H5	107.057	Cl3	C1	H4	109.031
Cl3	C1	H5	109.031	H4	C1	H5	111.396

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

using model chemistry: LSDA/6-31G*

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	-0.486
2	Br	-0.061
3	Cl	0.016
4	H	0.265
5	H	0.265

	x	y	z	Total
	0.901	1.390	0.000	1.656
CHELPG
AIM
ESP

	x	y	z
x	6.704	-1.403	0.000
y	-1.403	5.607	0.000
z	0.000	0.000	3.848

<r²>	145.815
(<r²>)^1/2	12.075

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

using model chemistry: LSDA/6-31G*

States and conformations

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