%chk=000059492.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059492

0 1
 O    1.739500       1.848300      -1.010400    
 O  -0.7348000     -0.3431000      0.4048000    
 O   7.2499998E-02 -9.7499996E-02  -1.738900    
 N   -4.905900     -0.6018000      0.1693000    
 C   0.1621000       2.399600      0.6805000    
 C  -0.3074000       3.506600     -0.1933000    
 C   0.7887000       3.741800      0.8041000    
 C   0.9719000       1.286300      5.3500000E-02
 C    1.949400      0.6877000       1.090400    
 C   6.8700001E-02  0.2146000     -0.5542000    
 C   -1.999100     -0.8166000     -4.1499998E-02
 C   -2.776400      -1.411800       1.129100    
 C   -2.775800      0.3440000     -0.6551000    
 C    2.887100     -0.3679000      0.5475000    
 C   -4.205300      -1.769900      0.7221000    
 C   -4.204900     -6.7400001E-02  -1.007100    
 C    2.497200      -1.696100      0.5724000    
 C    4.115000      1.6500000E-02  3.6600001E-02
 C   -6.286100     -0.9467000     -0.1705000    
 C    3.361600      -2.669500      7.1599998E-02
 C    4.979300     -0.9571000     -0.4643000    
 C    4.602500      -2.300000     -0.4468000    
 H  -0.4812000       2.072300       1.487800    
 H  -5.2499998E-02   3.523300      -1.244900    
 H   -1.280200       3.935200      2.0099999E-02
 H   0.5492000       4.330400       1.682300    
 H    1.789500       3.912900      0.4285000    
 H    1.393100      0.2697000       1.940800    
 H    2.562600       1.491900       1.521500    
 H   -1.840600      -1.603900     -0.7904000    
 H    2.177200       1.127800      -1.493700    
 H   -2.255700      -2.301000       1.504600    
 H   -2.789300     -0.7004000       1.965700    
 H   -2.794600       1.190100      4.5299999E-02
 H   -2.291100      0.7216000      -1.561800    
 H   -4.186100      -2.593900     -3.4000000E-03
 H   -4.733200      -2.132100       1.612600    
 H   -4.186300     -0.8052000      -1.820200    
 H   -4.733000      0.8178000      -1.382100    
 H    1.536300      -1.996900      0.9788000    
 H    4.418100       1.059300      1.8500000E-02
 H   -6.341100      -1.726700     -0.9384000    
 H   -6.824700      -1.297400      0.7169000    
 H   -6.824500     -6.4800002E-02 -0.5352000    
 H    3.068800      -3.715300      8.6400002E-02
 H    5.945700     -0.6695000     -0.8681000    
 H    5.275700      -3.057900     -0.8367000    


%chk=000059492-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059492

0 1
O 2.115683 2.191320 -0.906649
O -0.809531 0.391272 0.365639
O 0.048505 0.726297 -1.777785
N -4.733955 -1.224796 0.001166
C 0.551167 2.968893 0.816675
C 0.193960 4.212232 -0.004191
C 1.367798 4.254064 0.988483
C 1.198981 1.746445 0.144640
C 1.988856 0.907447 1.200808
C 0.097186 0.903958 -0.532235
C -1.940795 -0.433176 -0.195948
C -2.426535 -1.341265 0.936970
C -3.063847 0.488911 -0.694803
C 2.553239 -0.403096 0.676400
C -3.661200 -2.138407 0.460126
C -4.276755 -0.367717 -1.118678
C 1.979421 -1.642053 1.063531
C 3.659164 -0.416685 -0.214369
C -5.983893 -1.942877 -0.315499
C 2.493875 -2.865117 0.575770
C 4.173231 -1.637189 -0.705858
C 3.593324 -2.866427 -0.313047
H -0.134109 2.697018 1.626723
H 0.456862 4.205181 -1.065500
H -0.727840 4.744993 0.246079
H 1.252486 4.818612 1.918337
H 2.369566 4.263619 0.550660
H 1.314252 0.717427 2.054837
H 2.799436 1.572130 1.553224
H -1.529130 -1.021898 -1.038604
H 1.783558 1.808828 -1.767192
H -1.622085 -2.034011 1.245203
H -2.707988 -0.721047 1.807117
H -3.365972 1.167156 0.123962
H -2.712868 1.094795 -1.548814
H -3.353097 -2.849940 -0.352854
H -4.051445 -2.747609 1.295874
H -4.001456 -0.981139 -2.018242
H -5.109519 0.294608 -1.417918
H 1.128265 -1.644337 1.756417
H 4.104684 0.535918 -0.519170
H -5.879082 -2.666550 -1.163654
H -6.325637 -2.504948 0.572026
H -6.772000 -1.216590 -0.583040
H 2.042874 -3.813164 0.891442
H 5.027944 -1.630860 -1.392188
H 3.996323 -3.812927 -0.691169


