%chk=000186262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186262

0 1
Cl -2.438908 -2.088458 2.756164
O -5.022954 0.890236 -0.853006
O -5.173349 -1.745638 0.578981
O -1.120177 0.779456 -2.149387
O -3.697248 1.070932 -2.581461
O 1.304425 0.092798 -1.840636
O 3.568250 -3.408790 0.126340
O 4.647911 -2.924133 -1.778625
N 2.029237 -1.223856 -0.139080
C -4.502194 -0.582142 1.050950
C -5.227472 0.695565 0.566727
C -3.057787 -0.592676 0.580401
C -2.725424 0.072209 -0.603901
C -1.368948 0.093111 -1.040530
C -2.053820 -1.253061 1.307277
C -0.358237 -0.587092 -0.293324
C -4.788545 1.938578 1.316955
C -3.767705 0.720770 -1.434012
C -0.726981 -1.259683 0.876223
C 3.430035 -1.130315 -0.593550
C 4.338562 -0.460061 0.455812
C 1.025497 -0.535617 -0.807287
C 3.880946 0.936485 0.781029
C 3.959818 -2.542744 -0.869054
C 3.915349 1.938414 -0.200951
C 3.426093 1.242016 2.071879
C 3.493991 3.233754 0.108723
C 3.009581 2.541520 2.376373
C 3.041179 3.538345 1.396964
H -4.592845 -0.684327 2.162639
H -6.336421 0.550285 0.597544
H -5.146302 1.941875 2.353164
H -3.698041 2.059476 1.335870
H -5.191762 2.840453 0.828631
H 0.021786 -1.796393 1.467972
H 3.465036 -0.548381 -1.568666
H 4.388768 -1.083800 1.373971
H 5.382954 -0.426885 0.070604
H 1.865869 -1.736827 0.725410
H -5.256110 -1.725375 -0.406814
H -0.101000 0.760743 -2.442048
H 4.263595 1.710364 -1.207316
H 3.399779 0.474295 2.841847
H 3.517404 4.008372 -0.657460
H 2.660000 2.776559 3.380717
H 2.714877 4.549082 1.635095
H 3.883585 -4.341740 -0.028253


%chk=000186262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186262

0 1
Cl -2.475091 -2.148935 2.868776
O -5.122301 0.818031 -0.868672
O -5.266482 -1.837664 0.435792
O -1.056245 0.890652 -2.121020
O -3.754675 0.918487 -2.687831
O 1.336410 0.280160 -1.760889
O 3.231303 -3.549262 -0.104800
O 4.951970 -2.838331 -1.503869
N 2.002736 -1.204747 -0.116182
C -4.566228 -0.671151 1.006588
C -5.264177 0.639451 0.614934
C -3.106806 -0.634327 0.575465
C -2.763309 0.062255 -0.619669
C -1.389779 0.148967 -1.032160
C -2.084863 -1.262695 1.320145
C -0.375143 -0.536305 -0.263328
C -4.783386 1.890186 1.360119
C -3.848580 0.644269 -1.478653
C -0.746802 -1.229778 0.911445
C 3.402917 -1.170453 -0.550000
C 4.347264 -0.468201 0.492346
C 1.032470 -0.465651 -0.744075
C 3.938826 0.967799 0.782712
C 3.949881 -2.572152 -0.814349
C 4.058692 1.969547 -0.214600
C 3.435876 1.331626 2.056608
C 3.686081 3.303364 0.056004
C 3.062727 2.667430 2.332623
C 3.186387 3.657295 1.331682
H -4.639998 -0.830955 2.093600
H -6.352693 0.507637 0.741089
H -5.023556 1.808769 2.436137
H -3.695444 2.044411 1.257347
H -5.299080 2.778615 0.958955
H -0.001373 -1.725829 1.540717
H 3.435018 -0.606172 -1.497713
H 4.349021 -1.062434 1.425683
H 5.370098 -0.510329 0.071901
H 1.754818 -1.898676 0.589726
H -5.393822 -1.683920 -0.537794
H -0.016418 0.835990 -2.225473
H 4.443254 1.707382 -1.208006
H 3.343836 0.568723 2.840014
H 3.782849 4.065089 -0.725307
H 2.679463 2.933731 3.324026
H 2.897182 4.692917 1.541793
H 3.629467 -4.447119 -0.262937


