%chk=000015227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015227

0 1
 O  -0.1910000      0.8854000       1.138300    
 O  -0.8481000       2.611600     -0.2357000    
 O   -3.469400      -2.659800      0.2344000    
 O   -5.852100       1.448900     -0.3834000    
 O   -5.850800      -1.315500     -0.2050000    
 N    5.249000      3.8199998E-02 -7.7900000E-02
 C    3.815700     -9.5600002E-02  0.1818000    
 C    3.005100      0.6985000     -0.8503000    
 C    3.502100      0.3692000       1.608800    
 C    1.509100      0.6274000     -0.5547000    
 C    2.004900      0.2975000       1.898400    
 C    1.193100       1.081200      0.8696000    
 C    5.555500     -0.3253000      -1.468600    
 C    6.021200     -0.7800000      0.8677000    
 C    7.043800     -0.1438000      -1.771200    
 C    7.524600     -0.6135000      0.6415000    
 C    7.908200     -0.9373000     -0.7980000    
 C   -1.056100       1.544200      0.3200000    
 C   -2.325400      0.7867000      0.1796000    
 C   -3.496500       1.483100     -3.8800001E-02
 C   -2.294900     -0.5895000      0.2737000    
 C   -3.488000      -1.300600      0.1437000    
 C   -4.689400      0.7720000     -0.1687000    
 C   -4.685200     -0.6199000     -7.7500001E-02
 C   -3.275100      -3.387500     -0.9766000    
 C   -6.221000       1.689200      -1.739900    
 C   -6.589500      -1.564500      0.9887000    
 H    3.521700      -1.152300      9.4999999E-02
 H    3.323600       1.748800     -0.8674000    
 H    3.116600      0.2983000      -1.862800    
 H    3.975400     -0.2587000       2.368900    
 H    3.853500       1.397500       1.764200    
 H   0.9794000       1.234500      -1.296800    
 H    1.149300     -0.3998000     -0.7023000    
 H    1.675200     -0.7498000       1.909400    
 H    1.796900      0.6831000       2.904000    
 H    1.427800       2.148000      0.9835000    
 H    5.057800      0.3328000      -2.185700    
 H    5.253800      -1.358100      -1.686300    
 H    5.749900      -1.840800      0.7871000    
 H    5.865200     -0.4732000       1.904600    
 H    7.255900     -0.4640000      -2.797700    
 H    7.306100      0.9201000      -1.707400    
 H    7.820400      0.4175000      0.8745000    
 H    8.077700      -1.267000       1.325700    
 H    7.773300      -2.010600     -0.9801000    
 H    8.967200     -0.7123000     -0.9653000    
 H   -3.505700       2.567500     -0.1061000    
 H   -1.370800      -1.137900      0.4334000    
 H   -4.077700      -3.172100      -1.689000    
 H   -3.293500      -4.455100     -0.7415000    
 H   -2.304200      -3.143100      -1.419000    
 H   -5.465500       2.303900      -2.239400    
 H   -7.171400       2.229600      -1.745900    
 H   -6.352200      0.7445000      -2.277000    
 H   -5.998600      -2.161800       1.690200    
 H   -7.489200      -2.126300      0.7235000    
 H   -6.891200     -0.6232000       1.458700    


%chk=000015227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015227

0 1
O -0.066591 0.023497 0.324658
O -0.751101 2.171589 -0.288067
O -4.136574 -2.797209 0.718812
O -5.861861 1.659497 -0.595945
O -6.380518 -1.090322 0.117239
N 5.707509 0.074539 -0.021945
C 4.238336 -0.216125 -0.102328
C 3.468011 0.727952 -1.059349
C 3.611295 -0.110406 1.316443
C 1.952564 0.404621 -1.070522
C 2.101008 -0.445234 1.317701
C 1.362166 0.481058 0.347138
C 6.353401 0.535462 -1.279491
C 6.455084 -1.085485 0.538246
C 7.817005 0.956933 -1.023335
C 7.919628 -0.723783 0.856443
C 8.634891 -0.199422 -0.407745
C -1.030287 0.975687 -0.014351
C -2.408481 0.403393 -0.003258
C -3.487492 1.263163 -0.326044
C -2.648370 -0.958771 0.298223
C -3.966717 -1.461404 0.316187
C -4.801690 0.765228 -0.319310
C -5.061979 -0.590940 0.039853
C -4.938522 -3.671824 -0.165939
C -6.659169 1.326379 -1.799820
C -7.192664 -0.491408 1.208954
H 4.075915 -1.263275 -0.478776
H 3.627792 1.778168 -0.740136
H 3.846524 0.637935 -2.093321
H 4.129516 -0.781515 2.024476
H 3.778775 0.923116 1.678437
H 1.421259 1.108170 -1.736154
H 1.791526 -0.619283 -1.462829
H 1.941550 -1.495597 1.002739
H 1.680998 -0.340202 2.334762
H 1.372994 1.529626 0.702999
H 5.799546 1.401911 -1.676125
H 6.338831 -0.265025 -2.068579
H 6.440992 -1.946414 -0.184104
H 5.952709 -1.429173 1.459091
H 8.269687 1.294316 -1.976082
H 7.816347 1.818181 -0.327231
H 7.931193 0.056527 1.641725
H 8.438192 -1.615283 1.259822
H 8.725283 -1.022514 -1.147077
H 9.662310 0.133936 -0.167563
H -3.300188 2.310181 -0.580075
H -1.820906 -1.629798 0.537659
H -5.961779 -3.279931 -0.285516
H -4.951834 -4.649806 0.338572
H -4.446258 -3.766064 -1.153230
H -6.023485 1.386691 -2.703314
H -7.448815 2.091503 -1.846484
H -7.101373 0.317449 -1.714954
H -6.740197 -0.734391 2.187439
H -8.185298 -0.958762 1.123380
H -7.264189 0.602960 1.080901


