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	hartrees
Energy at 0K	-3056.152121
Energy at 298.15K	-3056.157405
HF Energy	-3056.152121
Nuclear repulsion energy	212.796402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3352	3035	2.27
2	A'	1588	1438	0.21
3	A'	1367	1238	76.95
4	A'	718	650	124.06
5	A'	624	565	14.08
6	A'	229	207	0.73
7	A"	3450	3124	1.39
8	A"	1246	1129	0.03
9	A"	898	813	4.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.049	0.000
Br2	0.888	-0.706	0.000
Cl3	-1.860	0.898	0.000
H4	0.265	1.573	0.894
H5	0.265	1.573	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9664	1.8657	1.0699	1.0699
Br2	1.9664		3.1815	2.5260	2.5260
Cl3	1.8657	3.1815		2.4023	2.4023
H4	1.0699	2.5260	2.4023		1.7875
H5	1.0699	2.5260	2.4023	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.216	Br2	C1	H4	108.997
Br2	C1	H5	108.997	Cl3	C1	H4	106.675
Cl3	C1	H5	106.675	H4	C1	H5	113.313

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

using model chemistry: HF/3-21G

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	-0.777
2	Br	0.133
3	Cl	-0.004
4	H	0.324
5	H	0.324

	x	y	z	Total
	1.735	1.472	0.000	2.275
CHELPG
AIM
ESP

	x	y	z
x	6.202	-1.769	0.000
y	-1.769	4.715	0.000
z	0.000	0.000	2.171

<r²>	154.765
(<r²>)^1/2	12.440

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

using model chemistry: HF/3-21G

States and conformations

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