%chk=000121857.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121857

0 1
 O    3.838400       2.904100     -0.7427000    
 O   -6.240700      -1.994300     -0.1901000    
 O    1.601700       2.704200      -1.271700    
 O   -4.892900      -3.815800     -0.6542000    
 N    4.766500       1.958300     -0.3702000    
 N   -6.020100     -0.6111000      0.1218000    
 C    4.200700      0.7273000     -0.2591000    
 C    4.996200     -0.4230000      0.1755000    
 C    2.905700      0.7798000     -0.5987000    
 C   -4.736100     -0.3990000      0.1268000    
 C   -4.126700      0.8963000      0.4259000    
 C   -4.015500      -1.612200     -0.2157000    
 C    2.661400       2.216100     -0.9191000    
 C    5.672600      -1.211300     -0.7633000    
 C    5.089400     -0.7466000       1.534600    
 C    1.904500     -0.2328000     -0.6820000    
 C   -2.718600      -1.834100     -0.4264000    
 C   -3.888100       1.819800     -0.5988000    
 C   -3.775200       1.226000       1.740200    
 C    6.430800      -2.306700     -0.3495000    
 C    5.847600      -1.841800       1.948500    
 C   0.6018000       0.000000     -0.4683000    
 C    6.518200      -2.621900       1.006400    
 C   -5.043400      -2.639200     -0.3858000    
 C   -1.711500     -0.8013000     -0.3408000    
 C  -0.4074000      -1.033100     -0.5545000    
 C   -3.306400       3.055100     -0.3134000    
 C   -3.193700       2.461400       2.025800    
 C   -2.959300       3.375900      0.9989000    
 H    5.679500       2.217300     -2.5300000E-02
 H    5.615200     -0.9796000      -1.824500    
 H    4.572900     -0.1491000       2.282300    
 H    2.249800      -1.244200     -0.8828000    
 H   -2.379900      -2.830300     -0.7010000    
 H   -4.153800       1.581800      -1.625900    
 H   -3.952000      0.5217000       2.549400    
 H    6.953000      -2.914100      -1.083000    
 H    5.915700      -2.087500       3.004200    
 H   0.2440000      0.9917000     -0.2071000    
 H    7.108400      -3.474700       1.328700    
 H   -1.960100      0.2102000     -8.6400002E-02
 H  -6.8499997E-02  -2.034500     -0.8106000    
 H   -3.123100       3.766900      -1.113000    
 H   -2.922700       2.710900       3.047400    
 H   -2.505800       4.337300       1.221200    


%chk=000121857-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121857

0 1
O 4.494494 2.817921 -0.619445
O -6.056110 -2.363940 -0.139836
O 2.138935 3.005222 -0.557492
O -4.342692 -3.976597 0.004729
N 5.379082 1.690386 -0.509847
N -6.119048 -0.884668 -0.077966
C 4.682724 0.539578 -0.190495
C 5.425647 -0.705200 0.066878
C 3.298396 0.814390 -0.210477
C -4.853968 -0.436065 0.062113
C -4.657821 1.028520 0.188356
C -3.880776 -1.524259 0.091462
C 3.114953 2.248844 -0.449516
C 6.602228 -1.002072 -0.677641
C 4.997349 -1.606748 1.080458
C 2.214502 -0.130585 -0.103027
C -2.491119 -1.598342 0.078136
C -5.366008 1.912388 -0.668122
C -3.818904 1.567708 1.200322
C 7.331069 -2.180100 -0.413491
C 5.729164 -2.784093 1.336809
C 0.864621 0.189913 -0.089824
C 6.896445 -3.075264 0.592020
C -4.676552 -2.775834 0.000745
C -1.523380 -0.546580 0.011294
C -0.157092 -0.815414 -0.006566
C -5.220249 3.309130 -0.528129
C -3.676810 2.964930 1.338752
C -4.372039 3.840179 0.471458
H 6.310210 1.950896 -0.175879
H 6.917869 -0.331273 -1.484866
H 4.118822 -1.366070 1.688010
H 2.496482 -1.191552 -0.054032
H -2.099632 -2.629503 0.087395
H -6.024336 1.493745 -1.436088
H -3.303901 0.895282 1.895519
H 8.228848 -2.406118 -0.998258
H 5.395180 -3.469518 2.122661
H 0.561702 1.243017 -0.146860
H 7.461570 -3.991489 0.792892
H -1.860311 0.494271 -0.049634
H 0.166898 -1.867598 0.047041
H -5.766044 3.982017 -1.198395
H -3.031377 3.369945 2.125818
H -4.256522 4.924499 0.576718


