%chk=000087982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087982

0 1
 O    1.437700      -1.348100      -1.345100    
 O   -1.257200       1.141900      0.2183000    
 O    3.732400       1.939500       1.164100    
 O    5.362400       1.833300     -0.3998000    
 O   -4.792500     -0.4896000       1.162400    
 N  -0.9091000      -1.148100      7.7900000E-02
 N    2.535600     -0.2687000      0.3911000    
 N   -3.858300      0.7432000     -0.5784000    
 C   0.3371000      -1.178900      0.8075000    
 C   -2.863600     -0.2124000     -0.9895000    
 C    1.468600     -0.9444000     -0.1845000    
 C   -1.610200      2.6200000E-02 -0.1579000    
 C    3.747400      3.5999998E-02 -0.3331000    
 C   0.5188000      -2.501000       1.536600    
 C   -2.561500     -9.2200004E-02  -2.475000    
 C    4.749400      -1.099200     -0.1876000    
 C    4.364600       1.347800      0.1224000    
 C   -4.742500      0.5221000      0.4678000    
 C   -5.659200       1.692700      0.7027000    
 H   0.3221000     -0.3629000       1.540000    
 H   -3.251000      -1.216700     -0.7793000    
 H   -1.235200      -2.012800     -0.3446000    
 H    3.484600      0.1625000      -1.390100    
 H  -0.3047000      -2.677000       2.236800    
 H    1.457800      -2.512300       2.100000    
 H   0.5448000      -3.342000      0.8342000    
 H    2.485700     -1.0000000E-03   1.370000    
 H   -2.165000      0.8995000      -2.721300    
 H   -1.815300     -0.8317000      -2.784400    
 H   -3.466800     -0.2467000      -3.071500    
 H   -3.860700       1.651900      -1.033500    
 H    5.663200     -0.8950000     -0.7557000    
 H    4.330200      -2.044800     -0.5478000    
 H    5.036200      -1.240300      0.8610000    
 H   -6.500200       1.381100       1.328200    
 H   -5.107600       2.489300       1.209100    
 H   -6.051300       2.067900     -0.2470000    
 H    4.166700       2.778500       1.428200    


%chk=000087982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087982

0 1
O 1.896485 -2.688381 0.696880
O -0.056559 1.454807 0.055666
O 3.064861 1.559393 -1.330889
O 4.740568 0.310916 -2.345732
O -3.568705 -1.457546 -0.248822
N -0.883187 -0.707104 0.323527
N 2.166801 -0.439949 0.156452
N -3.403558 0.845336 -0.451342
C 0.107825 -1.091125 1.356287
C -2.113144 0.801127 -1.183840
C 1.466739 -1.492341 0.705905
C -0.923205 0.554214 -0.210178
C 3.463551 -0.685994 -0.491091
C -0.444296 -2.232802 2.220273
C -1.913269 2.092382 -1.987623
C 4.619251 -0.831023 0.543121
C 3.830587 0.399091 -1.494716
C -4.073610 -0.297472 -0.065732
C -5.438868 -0.105865 0.577024
H 0.293750 -0.187640 1.970596
H -2.172381 -0.073605 -1.860174
H -1.655602 -1.356167 0.086877
H 3.399057 -1.641855 -1.045286
H -1.407411 -1.941127 2.674628
H 0.269880 -2.480052 3.022479
H -0.584101 -3.146097 1.617649
H 1.739151 0.501308 0.135136
H -1.800403 2.961115 -1.315670
H -0.986896 2.026230 -2.580645
H -2.762332 2.256241 -2.674379
H -3.798123 1.764305 -0.241397
H 5.570009 -1.046974 0.026609
H 4.378294 -1.668455 1.217484
H 4.729892 0.093379 1.136235
H -6.199451 -0.615734 -0.039333
H -5.445825 -0.590478 1.568087
H -5.725974 0.953259 0.691822
H 3.353600 2.252280 -1.983686


