%chk=000020147.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020147

0 1
 O   -1.890900       2.315900       1.432600    
 O    5.094400     -0.7577000      0.4456000    
 O    4.758400      0.5835000      -1.259500    
 N   -1.204800     -0.2472000      0.6760000    
 N   -2.416500       2.792900     -0.7516000    
 N    4.327700     -0.1026000     -0.3012000    
 C   -3.584400     -0.1043000      9.8700002E-02
 C   -3.764800      -1.570100     -0.3478000    
 C   -2.177600      0.4700000     -0.1192000    
 C   -3.413700      -1.778100      -1.821600    
 C   -2.898300      -2.485000      0.5225000    
 C   -2.143800       1.934400      0.2923000    
 C   0.1577000     -0.2118000      0.4352000    
 C    1.055000     -0.9315000       1.247400    
 C   0.6852000      0.5452000     -0.6287000    
 C    2.428200     -0.8955000       1.004900    
 C    2.058300      0.5812000     -0.8713000    
 C    2.929900     -0.1393000     -5.4499999E-02
 H   -3.864000     -1.4000000E-02   1.157500    
 H   -4.307900      0.5134000     -0.4503000    
 H   -4.817700      -1.837300     -0.1948000    
 H   -1.946800      0.3903000      -1.186800    
 H   -3.683300      -2.792900      -2.134100    
 H   -2.344800      -1.651200      -2.019400    
 H   -3.966900      -1.077200      -2.455400    
 H   -3.270200      -3.513300      0.4297000    
 H   -2.964300      -2.229100       1.584600    
 H   -1.853200      -2.528300      0.2063000    
 H   -1.491700     -0.5942000       1.585200    
 H   0.6801000      -1.527000       2.077100    
 H   5.6299999E-02   1.126500      -1.295700    
 H   -2.421500       3.797700     -0.6112000    
 H   -2.628200       2.463900      -1.688100    
 H    3.077100      -1.469200       1.661600    
 H    2.414100       1.181200      -1.705000    


%chk=000020147-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020147

0 1
O -2.069826 2.377091 1.397608
O 5.283152 -0.629394 0.590649
O 4.933738 0.610532 -1.297953
N -1.096951 -0.250813 0.682321
N -2.374883 2.771565 -0.874049
N 4.502326 -0.026735 -0.252627
C -3.542945 -0.162597 0.215294
C -3.866937 -1.592435 -0.308807
C -2.134970 0.416490 -0.102662
C -3.707371 -1.705118 -1.844110
C -3.091875 -2.722738 0.411157
C -2.171047 1.943613 0.216669
C 0.266705 -0.153767 0.445941
C 1.178375 -0.799723 1.342746
C 0.800148 0.546723 -0.682503
C 2.557697 -0.759000 1.120316
C 2.182567 0.583279 -0.910128
C 3.059301 -0.070031 -0.012967
H -3.691388 -0.118680 1.313856
H -4.286222 0.534749 -0.219475
H -4.944010 -1.739665 -0.078872
H -1.918776 0.269771 -1.179129
H -4.105427 -2.670523 -2.205925
H -2.644001 -1.660256 -2.147191
H -4.253178 -0.898664 -2.370370
H -3.471823 -3.710911 0.092221
H -3.212922 -2.659090 1.509799
H -2.012930 -2.684254 0.179509
H -1.388592 -0.607327 1.593539
H 0.784344 -1.333627 2.215589
H 0.136944 1.080004 -1.368755
H -2.459958 3.776328 -0.717241
H -2.437006 2.415324 -1.826569
H 3.260927 -1.248379 1.799143
H 2.603916 1.117557 -1.766024


