%chk=000125966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125966

0 1
 O   -1.728200     -0.8240000       1.682200    
 O   -1.038900     -0.9128000     -0.8926000    
 O    1.419100       2.638900      0.5953000    
 O   -4.168100       1.218300      1.7000001E-02
 O   -3.927900      -1.079100     -6.6999998E-03
 O  -0.9616000      -3.829700     -0.9494000    
 N    3.652000       1.762600     -0.8546000    
 C   0.8375000      0.5380000     -0.4468000    
 C    1.650700       1.226500      0.6409000    
 C   -1.140000      0.3949000       1.195500    
 C  -0.6839000      0.3746000     -0.2641000    
 C    3.110700      0.8357000      0.1506000    
 C    1.198300      0.8129000       2.054400    
 C  -0.2989000       1.107200       2.223400    
 C    1.266100       1.179200      -1.842800    
 C    1.173500     -0.9494000     -0.3318000    
 C   -2.625200      0.2700000       1.466700    
 C    3.502900     -0.5887000      0.6524000    
 C    2.548900       2.154400      -1.799800    
 C    2.364100      -1.526400      0.1745000    
 C   6.5800004E-02  -1.697400     -0.6593000    
 C   -3.634400      2.9800000E-02  0.4190000    
 C    2.420900      -2.915300      0.2323000    
 C    4.395700       2.879300     -0.3074000    
 C   0.1165000      -3.073700     -0.6241000    
 C    1.307900      -3.678700     -0.1838000    
 C   -5.167100       1.129800      -1.003900    
 C   -5.656400       2.523100      -1.337100    
 H   -1.222300       1.164300     -0.8013000    
 H    3.641200       1.291400       1.006900    
 H    1.752800       1.386500       2.807400    
 H    1.369900     -0.2435000       2.278000    
 H  -0.5984000      0.8116000       3.237000    
 H  -0.4895000       2.184600       2.152200    
 H   0.4367000       1.768400      -2.251800    
 H    1.479400      0.3784000      -2.562200    
 H   -3.009100      0.7637000       2.353800    
 H    3.600800     -0.6544000       1.741800    
 H    4.444600     -0.8986000      0.1867000    
 H    2.969000       2.205200      -2.811400    
 H    2.192300       3.167300      -1.573800    
 H    1.939800       3.050400       1.305400    
 H    3.310200      -3.418400      0.6000000    
 H    5.261700       2.533100      0.2687000    
 H    3.798400       3.540200      0.3270000    
 H    4.801800       3.489000      -1.122900    
 H    1.376100      -4.763500     -0.1288000    
 H  -0.7291000      -4.768600     -0.8475000    
 H   -6.003300      0.5195000     -0.6449000    
 H   -4.735100      0.6655000      -1.897500    
 H   -6.422800       2.492500      -2.116600    
 H   -4.827300       3.150600      -1.680600    
 H   -6.074700       3.007300     -0.4485000    


%chk=000125966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125966

0 1
O -1.420010 -0.884637 1.949832
O -1.258978 -0.398296 -0.786549
O 1.394253 2.983330 0.894698
O -3.904536 0.783186 0.010382
O -4.269206 -1.387720 0.792254
O -1.251601 -3.270110 -1.454940
N 3.388316 1.475422 -0.788005
C 0.687943 0.912279 -0.183826
C 1.550681 1.503944 0.949968
C -1.235590 0.565812 1.515704
C -0.851301 0.800716 0.042693
C 3.029701 1.110868 0.610249
C 1.072605 1.045282 2.346632
C -0.429539 1.382587 2.515009
C 0.998577 1.646353 -1.533224
C 1.014897 -0.578393 -0.276838
C -2.594370 0.050752 1.869469
C 3.284231 -0.419421 0.780886
C 2.421079 2.255856 -1.588999
C 2.204644 -1.229629 0.075288
C -0.130445 -1.256986 -0.715216
C -3.650869 -0.305916 0.843568
C 2.248187 -2.628264 -0.156168
C 4.778646 1.918535 -0.943378
C -0.095686 -2.638399 -0.971231
C 1.129156 -3.308536 -0.697428
C -4.895917 0.537619 -1.085852
C -4.960960 1.813932 -1.917212
H -1.424374 1.651908 -0.356727
H 3.681201 1.658416 1.338851
H 1.672928 1.558454 3.124198
H 1.208685 -0.041563 2.484409
H -0.764743 1.138505 3.539039
H -0.589004 2.463759 2.342882
H 0.270830 2.467427 -1.669008
H 0.851766 0.925960 -2.356710
H -3.014824 0.319734 2.850130
H 3.313938 -0.688877 1.857935
H 4.285493 -0.648663 0.370654
H 2.782836 2.239885 -2.636030
H 2.373784 3.320924 -1.267117
H 2.029200 3.378916 1.545887
H 3.149784 -3.199727 0.092988
H 5.466641 1.211042 -0.444499
H 4.972972 2.938064 -0.520402
H 5.046105 1.942769 -2.015837
H 1.190926 -4.390929 -0.874213
H -1.143711 -4.253198 -1.435088
H -5.865931 0.278875 -0.623542
H -4.541018 -0.332035 -1.666383
H -5.684860 1.684288 -2.742440
H -3.975232 2.045641 -2.355701
H -5.284199 2.672763 -1.303941


