%chk=000121199.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121199

0 1
 O   0.6068000       1.332800       1.774100    
 O    1.143900      -3.019900      0.2325000    
 N    2.615400      -1.389700     -0.4980000    
 N   0.8629000     -0.8622000       1.033600    
 N   -4.178700      0.3872000     -0.4767000    
 C    3.046000     -3.0300001E-02 -0.4815000    
 C    2.366000      0.9073000      0.2970000    
 C    1.205200      0.4956000       1.102100    
 C    1.516600      -1.841400      0.2535000    
 C   -4.363400       1.060100      0.8105000    
 C   -5.400100      0.4827000      -1.278700    
 C  -0.2713000      -1.303700       1.841200    
 C   -3.802200      -1.006700     -0.2785000    
 C    4.149000      0.4111000      -1.234300    
 C    2.772500       2.250700      0.3271000    
 C    3.344000      -2.349500      -1.327600    
 C    4.555100       1.748000      -1.205500    
 C   -4.756500       2.514900      0.6180000    
 C   -5.210000     -0.1511000      -2.646200    
 C    3.866900       2.667900     -0.4246000    
 C   -1.520100      -1.195800       1.088700    
 C   -2.548000      -1.108000      0.4733000    
 H   -5.119300      0.5579000       1.428000    
 H   -3.428800       1.069200       1.382400    
 H   -6.260200      2.5599999E-02 -0.7732000    
 H   -5.653500       1.527900      -1.482000    
 H  -0.3329000     -0.6954000       2.750700    
 H  -0.1168000      -2.339400       2.163700    
 H   -4.592200      -1.566600      0.2383000    
 H   -3.618000      -1.512100      -1.232200    
 H    4.722000     -0.2663000      -1.861300    
 H    2.248200       2.986700      0.9311000    
 H    4.384400      -2.405300     -0.9921000    
 H    3.291100      -2.039200      -2.375900    
 H    2.916000      -3.353100      -1.254800    
 H   -4.114500       3.018000     -0.1132000    
 H   -5.802700       2.631900      0.3189000    
 H   -4.646300       3.050600       1.567900    
 H   -4.282700      0.1830000      -3.124200    
 H   -5.216700      -1.244500      -2.606000    
 H   -6.037700      0.1399000      -3.303200    
 H    5.410000       2.066900      -1.794700    
 H    4.180900       3.707100     -0.4008000    


%chk=000121199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121199

0 1
O 0.590651 1.176353 2.039709
O 1.244264 -3.073239 0.199501
N 2.642028 -1.337439 -0.530116
N 0.914066 -0.933457 1.086451
N -4.279095 0.322914 -0.472039
C 3.036324 0.016203 -0.478573
C 2.355605 0.915218 0.394890
C 1.236584 0.444351 1.235083
C 1.580762 -1.856398 0.244763
C -4.370891 1.186448 0.740259
C -5.521169 0.349350 -1.291119
C -0.248946 -1.454865 1.866776
C -3.904420 -1.078782 -0.123011
C 4.105635 0.507727 -1.277663
C 2.743902 2.275548 0.461267
C 3.344076 -2.285771 -1.418512
C 4.477364 1.862925 -1.197741
C -4.357085 2.691241 0.414832
C -5.340272 -0.234112 -2.706225
C 3.801196 2.756921 -0.328937
C -1.528180 -1.315482 1.150235
C -2.609162 -1.190926 0.570933
H -5.278303 0.934920 1.349853
H -3.489396 0.956266 1.364857
H -6.364384 -0.178123 -0.769762
H -5.823905 1.406170 -1.390588
H -0.276576 -0.879642 2.808329
H -0.046250 -2.517736 2.081166
H -4.689045 -1.568453 0.515610
H -3.851602 -1.665093 -1.058599
H 4.644310 -0.157269 -1.956563
H 2.188987 2.925487 1.145536
H 4.412521 -2.354518 -1.147367
H 3.250870 -1.971768 -2.473235
H 2.872931 -3.270500 -1.290826
H -3.473194 2.933528 -0.200266
H -5.260541 3.020161 -0.129924
H -4.303872 3.277331 1.350765
H -4.482087 0.248591 -3.205655
H -5.167722 -1.325400 -2.699935
H -6.248016 -0.050465 -3.310131
H 5.302752 2.226283 -1.819864
H 4.099582 3.808302 -0.276764


