%chk=000039413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039413

0 1
 Cl  -6.202800       1.199300      0.1640000    
 O    5.710900       2.056900      -1.033700    
 O    1.962000      -1.961700     -0.5733000    
 N    2.745300     -0.3542000      0.9136000    
 C    4.940300     -3.3799998E-02 -0.1553000    
 C    4.128200     -0.7467000      0.9179000    
 C    4.946900       1.480300      1.7100001E-02
 C    1.770500     -0.9994000      0.1628000    
 C   -2.011300     -0.3773000     -0.1834000    
 C   0.4242000     -0.3861000      0.3468000    
 C  -0.6363000     -0.8952000     -0.2971000    
 C   -2.214400      0.9146000      0.2737000    
 C   -3.074400      -1.193000     -0.5360000    
 C   -3.516000       1.404300      0.3814000    
 C   -4.376100     -0.7033000     -0.4285000    
 C   -4.597000      0.5954000      3.0200001E-02
 H    5.972900     -0.4038000     -0.1408000    
 H    4.549100     -0.2794000      -1.150900    
 H    4.192000      -1.829900      0.7674000    
 H    4.528600     -0.5220000       1.912200    
 H    3.935000       1.893500     -3.3599999E-02
 H    5.399600       1.761300      0.9733000    
 H    2.487200      0.4394000       1.493000    
 H   0.3543000      0.4527000       1.029400    
 H  -0.5179000      -1.756300     -0.9508000    
 H   -1.403900       1.586800      0.5368000    
 H   -2.918500      -2.207300     -0.8935000    
 H   -3.673500       2.419800      0.7358000    
 H   -5.208800      -1.345000     -0.7051000    
 H    5.702700       3.019600     -0.8971000    


%chk=000039413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039413

0 1
Cl -6.526742 1.013672 -0.110320
O 6.063372 1.810012 -1.268052
O 1.957205 -1.952849 -0.266607
N 2.783244 -0.178360 0.997509
C 4.999510 -0.080019 -0.222712
C 4.175459 -0.659145 0.951439
C 5.206879 1.434315 -0.131840
C 1.750207 -0.868261 0.367896
C -2.077709 -0.340974 -0.057242
C 0.404209 -0.237512 0.504167
C -0.686949 -0.814762 -0.080124
C -2.496411 0.831821 0.637186
C -3.063489 -1.087271 -0.764552
C -3.841728 1.246005 0.624618
C -4.415771 -0.687520 -0.788642
C -4.784978 0.478294 -0.091260
H 5.991915 -0.569793 -0.233759
H 4.501311 -0.327298 -1.176780
H 4.128969 -1.756616 0.844451
H 4.661176 -0.425356 1.918824
H 4.227898 1.959542 -0.185533
H 5.696251 1.695383 0.834145
H 2.571100 0.687631 1.494571
H 0.326624 0.695307 1.079809
H -0.488042 -1.743991 -0.634648
H -1.768793 1.429818 1.195959
H -2.763782 -1.992966 -1.304328
H -4.157040 2.146447 1.159574
H -5.163459 -1.268196 -1.335884
H 6.188366 2.792143 -1.281567


