%chk=000005838.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005838

0 1
 O   0.4276000      0.4921000       2.413700    
 O   0.5120000      0.6053000      -2.389400    
 O    3.438400      -1.983300      4.6000001E-03
 N    1.913600     -0.7331000       1.179700    
 N    1.956700     -0.6760000      -1.163200    
 C   0.2651000      0.6738000      1.1800000E-02
 C   -1.144500      0.1530000     -2.0199999E-02
 C   -1.299800      -1.347300      9.3999999E-03
 C   -2.708900      -1.824800     -0.3520000    
 C   0.2809000       2.208100      4.4199999E-02
 C   -3.772400     -0.9699000      0.3270000    
 C   -3.628800      0.5004000     -6.7000002E-02
 C   -2.206000      0.9765000     -7.0400000E-02
 C   0.8611000      0.1558000       1.309700    
 C   0.9077000      0.2178000      -1.288100    
 C    1.698400       2.737300      4.3299999E-02
 C    2.498900      -1.185800      6.8999999E-03
 H  -0.6035000      -1.836400     -0.6796000    
 H   -1.061700      -1.710700       1.016800    
 H   -2.844500      -1.777300      -1.440100    
 H   -2.828500      -2.874900     -6.2300000E-02
 H  -0.2178000       2.603600      0.9391000    
 H  -0.2116000       2.642200     -0.8362000    
 H   -3.678200      -1.069800       1.416000    
 H   -4.772900      -1.328100      5.9900001E-02
 H   -4.216600       1.112700      0.6265000    
 H   -4.047700      0.6579000      -1.068100    
 H   -2.124500       2.055700     -0.1123000    
 H    2.268200       2.396300      0.9132000    
 H    2.248100       2.456000     -0.8601000    
 H    1.682600       3.832300      7.9400003E-02
 H    2.307200      -1.092300       2.045100    
 H    2.381800     -0.9932000      -2.030000    


%chk=000005838-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005838

0 1
O 0.613645 0.567161 2.437982
O 0.622242 0.753325 -2.433264
O 3.362559 -2.178946 -0.101339
N 1.932128 -0.800734 1.130303
N 1.926348 -0.721397 -1.230962
C 0.261673 0.725092 0.004874
C -1.189271 0.159729 -0.012069
C -1.320019 -1.357603 0.117235
C -2.715677 -1.866852 -0.310150
C 0.326594 2.286929 0.059607
C -3.826394 -1.010110 0.335484
C -3.710021 0.458020 -0.133180
C -2.278394 0.963240 -0.135001
C 0.935021 0.182045 1.286071
C 0.935529 0.277451 -1.313817
C 1.762354 2.849558 0.119707
C 2.467387 -1.298993 -0.069605
H -0.544520 -1.866159 -0.490477
H -1.128033 -1.654422 1.170360
H -2.806074 -1.810233 -1.413156
H -2.828167 -2.930390 -0.028251
H -0.239395 2.610663 0.950248
H -0.179723 2.671637 -0.842468
H -3.725013 -1.055025 1.437915
H -4.826006 -1.411256 0.084902
H -4.327046 1.116767 0.509898
H -4.126643 0.564171 -1.157751
H -2.154519 2.046343 -0.246021
H 2.297796 2.516020 1.027258
H 2.356933 2.561484 -0.766892
H 1.731228 3.953121 0.146197
H 2.339909 -1.184751 1.989473
H 2.333969 -1.041984 -2.115810