%chk=000047289.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047289

0 1
 O  -0.6546000       1.800900     -0.4160000    
 O    5.185400       1.261500      0.5406000    
 N    4.021000     -0.3127000     -0.2434000    
 N    4.532500      0.2531000      0.8349000    
 N   -4.625400      0.7522000     -0.1026000    
 C    1.617800      0.1662000     -0.1649000    
 C   0.2119000     -0.4056000      3.6600001E-02
 C    2.703000     -0.9059000     -4.7300000E-02
 C  -0.8925000      0.6248000     -0.1522000    
 C   -2.310700      0.1813000     -3.2600001E-02
 C    4.937300      -1.309900     -0.8141000    
 C   -2.590100      -1.132600      0.2423000    
 C   -3.319300       1.088000     -0.1979000    
 C   -3.922400      -1.516600      0.3479000    
 C   -4.893700     -0.5448000      0.1686000    
 H    1.783200      0.9604000      0.5746000    
 H    1.677500      0.6430000      -1.152300    
 H   0.1395000     -0.8134000       1.051200    
 H   6.0300000E-02  -1.210200     -0.6922000    
 H    2.495500      -1.652300     -0.8266000    
 H    2.629500      -1.436400      0.9123000    
 H    5.078500      -2.170800     -0.1485000    
 H    5.922200     -0.8733000      -1.023000    
 H    4.558800      -1.675900      -1.776000    
 H   -1.831700      -1.893300      0.3854000    
 H   -3.143800       2.135800     -0.4157000    
 H   -4.192600      -2.543800      0.5645000    
 H   -5.947500     -0.7929000      0.2410000    


%chk=000047289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047289

0 1
O -0.491446 1.390865 -1.128835
O 6.038825 -0.115736 1.191382
N 4.113315 -0.677774 0.151982
N 4.829433 -0.527444 1.336109
N -4.602404 0.699516 -0.611110
C 1.685717 -0.079930 -0.150822
C 0.251115 -0.571952 0.113658
C 2.722027 -1.123582 0.321916
C -0.816746 0.367596 -0.460831
C -2.264950 0.040205 -0.222022
C 4.694446 -0.409606 -1.172656
C -2.698671 -1.090873 0.518782
C -3.263648 0.899427 -0.763397
C -4.081472 -1.313488 0.686570
C -4.991813 -0.398262 0.108469
H 1.854440 0.878035 0.373768
H 1.802934 0.129820 -1.229411
H 0.078504 -0.691601 1.203080
H 0.097892 -1.580125 -0.328195
H 2.572178 -2.074867 -0.230541
H 2.603942 -1.332570 1.400858
H 4.437705 -1.227345 -1.868603
H 5.788427 -0.343700 -1.045514
H 4.329443 0.547910 -1.587665
H -1.976686 -1.786586 0.958169
H -2.957206 1.778683 -1.339579
H -4.452156 -2.173947 1.251737
H -6.073544 -0.535871 0.217304


