%chk=000239136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239136

0 1
Br 1.740117 4.427180 2.079371
Br 0.089074 -5.225531 -1.785031
Br 4.722917 2.019236 -2.176214
Br 2.988873 -3.135214 2.692046
Cl -0.678903 -0.162884 2.680792
Cl -4.653662 1.119564 -1.943884
Cl -3.626529 0.455660 3.301596
Cl -5.626849 1.112663 1.029552
O -0.221776 0.040500 -2.001093
O -1.913023 0.551201 -3.394018
O 3.981649 4.042423 0.134522
O 1.925034 -5.184201 0.787058
C 0.064149 0.000389 -0.537507
C -1.308725 0.253262 0.083794
C 1.093712 1.087500 -0.333934
C 0.570986 -1.388209 -0.225948
C -2.236840 0.521727 -0.949053
C -1.550261 0.413772 -2.265455
C -1.736277 0.215516 1.400459
C 2.219279 1.072412 -1.176938
C 1.422516 -1.588540 0.874974
C 0.951361 2.098393 0.627157
C 0.180972 -2.473343 -1.021881
C -3.568973 0.792218 -0.683444
C -3.095717 0.488346 1.687237
C -4.001118 0.780557 0.662703
C 1.935092 3.075152 0.768097
C 0.620036 -3.759604 -0.709408
C 3.204737 2.047009 -1.044391
C 1.858770 -2.869967 1.196310
C 3.073308 3.058553 -0.068380
C 1.457960 -3.971333 0.404947
H 2.305710 0.291981 -1.944506
H 1.751954 -0.733141 1.476488
H 0.069344 2.133685 1.274204
H -0.459177 -2.303335 -1.896552
H 4.765967 3.991260 -0.490002
H 1.618014 -5.931460 0.191735


%chk=000239136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239136

0 1
Br 1.310912 4.933246 1.559261
Br -0.365379 -5.325851 -1.624242
Br 5.127196 1.854005 -1.546961
Br 3.404445 -3.303919 2.299351
Cl -0.503586 -0.027905 2.749072
Cl -4.776064 1.014985 -1.962680
Cl -3.591756 0.457498 3.445030
Cl -5.727862 0.987680 1.119280
O -0.199004 0.086779 -2.038009
O -2.005712 0.580386 -3.420920
O 3.956062 4.252384 0.157781
O 1.883764 -5.364889 0.605780
C 0.104349 0.015059 -0.543586
C -1.282955 0.260243 0.077183
C 1.130361 1.120046 -0.286502
C 0.610443 -1.413018 -0.270586
C -2.232216 0.491289 -0.943939
C -1.560295 0.419014 -2.277139
C -1.690245 0.252936 1.420433
C 2.414119 0.989855 -0.874312
C 1.615451 -1.666651 0.693190
C 0.813488 2.301765 0.422108
C 0.019176 -2.502488 -0.954778
C -3.590446 0.719693 -0.651050
C -3.056507 0.472667 1.733960
C -4.004866 0.708233 0.702930
C 1.765366 3.326853 0.562655
C 0.438854 -3.808220 -0.667591
C 3.347698 2.022804 -0.730992
C 2.022645 -2.982911 0.968818
C 3.058386 3.215077 -0.009771
C 1.444650 -4.090733 0.297008
H 2.665523 0.096962 -1.452445
H 2.078727 -0.840758 1.237548
H -0.172706 2.438673 0.871783
H -0.735096 -2.331310 -1.725890
H 4.817374 4.047423 -0.297900
H 1.399406 -6.043504 0.061524


