%chk=000043978.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043978

0 1
 Cl  -5.604200       2.708100      -1.921600    
 O   -2.197000      -2.030200      -1.903700    
 N   0.7254000      -1.408300      0.5128000    
 N    4.598200      0.4939000     -3.6699999E-02
 C   -2.127100     -0.6622000      6.8800002E-02
 C  -0.9351000      1.5400000E-02 -0.6545000    
 C   -1.589800      -1.315300       1.368100    
 C   0.2945000     -0.8913000     -0.7889000    
 C  -0.3464000      -2.183900       1.144000    
 C    1.931000      -2.223800      0.3672000    
 C   -3.261300      0.3509000      0.2981000    
 C    3.088800      -1.430300     -0.2425000    
 C   -2.682600      -1.770300     -0.8039000    
 C    3.501900     -0.2280000      0.6083000    
 C    5.778300     -0.3723000     -0.1662000    
 C    4.917500       1.718300      0.7109000    
 C    6.918700      0.3519000     -0.8835000    
 C    6.029800       2.510800      2.2500001E-02
 C    7.275900       1.656400     -0.1804000    
 C   -3.847100      0.9931000     -0.7895000    
 C   -3.697000      0.6201000       1.593100    
 C   -3.855600      -2.538300     -0.2575000    
 C   -4.875900       1.911600     -0.5810000    
 C   -4.725700       1.538900       1.801500    
 C   -5.315200       2.184600      0.7145000    
 H  -0.6436000      0.9177000     -9.7300000E-02
 H   -1.216500      0.3606000      -1.657800    
 H   -2.350900      -1.915800       1.879600    
 H   -1.290800     -0.5294000       2.076700    
 H   0.1224000      -1.705900      -1.500500    
 H    1.061300     -0.2483000      -1.232100    
 H  -0.6041000      -3.067700      0.5465000    
 H  -1.0100000E-02  -2.546700       2.123300    
 H    1.735500      -3.107000     -0.2554000    
 H    2.245800      -2.591500       1.352400    
 H    3.904800      -2.159800     -0.2907000    
 H    2.897000      -1.142300      -1.281800    
 H    3.780500     -0.5579000       1.617700    
 H    2.645900      0.4490000      0.7130000    
 H    5.578200      -1.252900     -0.7817000    
 H    6.121200     -0.7223000      0.8163000    
 H    4.030200       2.360200      0.7708000    
 H    5.218100       1.480500       1.740000    
 H    6.626400      0.5641000      -1.919900    
 H    7.801200     -0.2967000     -0.9269000    
 H    6.280600       3.393500      0.6216000    
 H    5.673800       2.874600     -0.9498000    
 H    7.730500       1.435100      0.7930000    
 H    8.019500       2.208300     -0.7656000    
 H   -3.514900      0.7817000      -1.802800    
 H   -3.284500      0.1417000       2.473500    
 H   -3.525000      -3.236400      0.5146000    
 H   -4.635500      -1.883300      0.1327000    
 H   -4.300000      -3.121900      -1.070500    
 H   -5.070200       1.750000       2.809700    
 H   -6.116400       2.897400      0.8921000    


%chk=000043978-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043978

0 1
Cl -5.657932 2.758831 -2.042841
O -2.724548 -1.867757 -2.019212
N 0.721540 -1.525933 0.305290
N 4.656777 0.345516 0.039443
C -2.132324 -0.655438 0.042643
C -0.969174 -0.039273 -0.794228
C -1.518649 -1.230255 1.349966
C 0.208039 -1.014741 -0.992938
C -0.358164 -2.202372 1.059548
C 1.911176 -2.404022 0.148933
C -3.210939 0.424443 0.310546
C 3.173315 -1.663358 -0.345235
C -2.867008 -1.771231 -0.771493
C 3.596843 -0.525098 0.604973
C 5.969694 -0.338633 -0.077523
C 4.783583 1.618223 0.795761
C 7.008326 0.557996 -0.783300
C 5.778558 2.578745 0.112937
C 7.161704 1.907730 -0.046646
C -3.864542 1.018668 -0.804748
C -3.571554 0.852190 1.613676
C -3.804067 -2.707308 -0.018089
C -4.833297 2.012584 -0.593084
C -4.548917 1.856587 1.799703
C -5.194829 2.453575 0.694761
H -0.609908 0.863678 -0.265649
H -1.341264 0.267020 -1.786926
H -2.282944 -1.736826 1.968467
H -1.109366 -0.390524 1.943187
H -0.111764 -1.854804 -1.658292
H 1.022400 -0.478329 -1.510077
H -0.742588 -3.103787 0.507538
H 0.059017 -2.566502 2.017292
H 1.695570 -3.256191 -0.547213
H 2.124289 -2.847377 1.142591
H 3.978466 -2.417422 -0.444433
H 3.017353 -1.238002 -1.354275
H 3.903896 -0.965479 1.592163
H 2.705832 0.099544 0.800571
H 5.835659 -1.272291 -0.652419
H 6.360850 -0.625349 0.937500
H 3.782481 2.085614 0.853708
H 5.124706 1.431131 1.850572
H 6.670669 0.740487 -1.821960
H 7.978725 0.026808 -0.833381
H 5.859976 3.509348 0.707430
H 5.382128 2.849323 -0.884955
H 7.602766 1.731308 0.956712
H 7.857104 2.572745 -0.593300
H -3.624270 0.697862 -1.823443
H -3.091450 0.413014 2.492149
H -3.216000 -3.485691 0.505876
H -4.393907 -2.167101 0.743200
H -4.477720 -3.205617 -0.732650
H -4.811842 2.181126 2.812403
H -5.952077 3.231014 0.829370


