%chk=000086418.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086418

0 1
 Cl  -4.998000      -1.115000      -1.239400    
 O    3.043600      -2.742300      0.4187000    
 O    3.745700      -1.160700     -0.9471000    
 N   0.8650000       1.229800      0.5901000    
 N    2.586900       1.059700     -0.8907000    
 N    2.040400     -0.8148000      0.4652000    
 N    3.005500      -1.605400     -6.2899999E-02
 N   -3.496500      0.7035000     -0.1638000    
 C   0.7767000       2.489800     -0.1022000    
 C  -0.1400000      0.8354000       1.544300    
 C    2.030500       2.439700     -0.9797000    
 C    1.866900      0.4708000      3.9200000E-02
 C   -1.351400      0.2908000      0.8395000    
 C   -1.447400      -1.057800      0.5519000    
 C   -2.381100       1.128100      0.4712000    
 C   -2.579700      -1.532500     -0.1005000    
 C   -3.567000     -0.6193000     -0.4338000    
 H   0.7973000       3.344400      0.5810000    
 H  -0.1201000       2.548900     -0.7267000    
 H  -0.4319000       1.702500       2.151800    
 H   0.2431000      0.1099000       2.271300    
 H    1.793400       2.681600      -2.020800    
 H    2.784600       3.151100     -0.6257000    
 H    1.437100      -1.158400       1.204700    
 H  -0.6669000      -1.756900      0.8328000    
 H   -2.354500       2.193500      0.6759000    
 H   -2.675200      -2.587900     -0.3328000    


%chk=000086418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086418

0 1
Cl -5.520798 -0.934662 -0.989275
O 3.425017 -2.498296 1.404858
O 1.464839 -1.999839 0.315188
N 0.915280 0.996201 0.292912
N 3.055717 1.490908 -0.470789
N 2.864799 -0.298351 1.070138
N 2.566225 -1.690461 0.898698
N -3.832293 0.416545 0.649366
C 0.694879 2.223268 -0.522830
C -0.060584 0.568691 1.302631
C 2.137943 2.514236 -1.082055
C 2.280745 0.722946 0.267256
C -1.397686 0.166773 0.692600
C -1.483595 -0.807059 -0.338653
C -2.602520 0.747121 1.148144
C -2.742963 -1.156404 -0.863505
C -3.874200 -0.503483 -0.320661
H 0.315784 3.041294 0.123021
H -0.046287 2.042865 -1.320705
H -0.229114 1.386457 2.038133
H 0.370821 -0.284095 1.854724
H 2.179851 2.405002 -2.179980
H 2.494170 3.528672 -0.832579
H 3.856991 -0.171207 1.301002
H -0.571882 -1.280854 -0.713611
H -2.601919 1.505463 1.940627
H -2.852221 -1.903231 -1.653155


