%chk=000100785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100785

0 1
 O   -1.790500       2.311000      0.3628000    
 O   -1.840100      -2.265100      0.4786000    
 N   -1.765200       1.164200      -1.621100    
 N   -1.807500      -1.213600      -1.558500    
 C  -0.9360000      1.2000000E-02  0.3981000    
 C   -1.256600      4.7400001E-02   1.908500    
 C   0.6011000      3.8000001E-03  0.2579000    
 C   -1.545400       1.278400     -0.2601000    
 C   -1.580100      -1.268200     -0.1945000    
 C   -1.458000     -4.9899999E-02  -2.332100    
 C   -2.751100      2.4700001E-02   2.150900    
 C    1.290700       1.208000      0.2084000    
 C    1.275500      -1.207800      0.1834000    
 C    2.679900       1.200400      8.2199998E-02
 C    2.664700      -1.215300      5.7399999E-02
 C    3.366900     -1.1200000E-02  6.6999998E-03
 C    4.851800     -1.8999999E-02 -0.1284000    
 H  -0.8364000      0.9480000       2.375800    
 H  -0.8013000     -0.8060000       2.428300    
 H   -2.028500     -6.4300001E-02  -3.264500    
 H  -0.3875000     -7.4699998E-02  -2.555700    
 H   -2.118700       1.966300      -2.133300    
 H   -2.185100      -2.030100      -2.029000    
 H   -3.285200      0.8467000       1.668000    
 H   -3.231600     -0.9091000       1.850900    
 H   -2.935700      0.1267000       3.227000    
 H   0.7938000       2.169200      0.2822000    
 H   0.7663000      -2.164100      0.2351000    
 H    3.216300       2.144900      4.5899998E-02
 H    3.189100      -2.165500      1.1000000E-03
 H    5.132800     -7.1999999E-03  -1.186200    
 H    5.297900      0.8523000      0.3631000    
 H    5.286800     -0.9084000      0.3402000    


%chk=000100785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100785

0 1
O -1.835733 2.354371 0.341863
O -1.850631 -2.335441 0.416382
N -1.773266 1.172069 -1.647036
N -1.781117 -1.217174 -1.608952
C -1.006605 0.007220 0.407592
C -1.313340 0.032902 1.936968
C 0.538486 -0.001196 0.204964
C -1.580804 1.282067 -0.278045
C -1.589527 -1.284749 -0.237081
C -1.407746 -0.035955 -2.392494
C -2.811776 0.041863 2.305095
C 1.267497 1.213943 0.142585
C 1.260156 -1.222009 0.183986
C 2.675495 1.203490 0.044074
C 2.668265 -1.223241 0.085351
C 3.403280 -0.013062 0.008392
C 4.916688 -0.019658 -0.120781
H -0.822258 0.931923 2.351039
H -0.825778 -0.853831 2.380608
H -1.948623 -0.049502 -3.353514
H -0.316997 -0.042932 -2.603761
H -2.128835 1.995075 -2.137498
H -2.141634 -2.053225 -2.073027
H -3.314864 0.939021 1.905686
H -3.319409 -0.863355 1.930353
H -2.923775 0.056953 3.404810
H 0.736095 2.171311 0.190023
H 0.723499 -2.174220 0.264465
H 3.218179 2.156082 0.003064
H 3.205237 -2.179901 0.077042
H 5.227208 -0.035311 -1.183889
H 5.365678 0.878838 0.338026
H 5.360055 -0.907866 0.362809


