%chk=000028983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028983

0 1
 O    2.172300      -1.626800      0.7204000    
 O  -0.7274000       2.350100      0.1669000    
 O   -2.941000       2.846300     -0.2234000    
 N   -3.225300      -1.400600     -0.2146000    
 N    5.125200      8.2500003E-02 -0.6665000    
 C   -1.894400      -1.664700      1.8300001E-02
 C   -1.241900     -0.4337000      0.1143000    
 C   -3.436000     -4.8999999E-02 -0.2694000    
 C   -2.227000      0.5765000     -6.9499999E-02
 C   0.1466000     -0.4189000      0.3537000    
 C   -1.225000      -2.886500      0.1501000    
 C   0.8293000      -1.633400      0.4878000    
 C   -4.252500      -2.408900     -0.3778000    
 C   -4.779000      0.5229000     -0.5090000    
 C   0.1520000      -2.847000      0.3871000    
 C   -2.038200       2.000400     -5.6100000E-02
 C    2.915900     -0.5322000      0.1895000    
 C    4.332100      -1.000600     -0.1047000    
 C    6.504900     -0.3632000      -1.002500    
 C    5.148500       1.231700      0.2424000    
 C  -0.4112000       3.746000      0.2039000    
 C    1.072000       3.909100      0.4592000    
 H   0.6677000      0.5230000      0.4659000    
 H   -1.734000      -3.840500      7.2600000E-02
 H   -5.064200      -2.195900      0.3231000    
 H   -4.607900      -2.371200      -1.410900    
 H   -3.861700      -3.404100     -0.1639000    
 H   -5.154100      0.9993000      0.4029000    
 H   -4.738200       1.281100      -1.298200    
 H   -5.522400     -0.2120000     -0.8282000    
 H   0.6970000      -3.782200      0.4930000    
 H    2.475600     -0.1600000     -0.7455000    
 H    2.895600      0.2544000      0.9501000    
 H    4.785500      -1.404700      0.8104000    
 H    4.282000      -1.838600     -0.8119000    
 H    7.052000     -0.6809000     -0.1084000    
 H    7.057100      0.4488000      -1.487300    
 H    6.468600      -1.197600      -1.710800    
 H    4.188500       1.756700      0.2652000    
 H    5.868500       1.979300     -0.1124000    
 H    5.438800      0.9518000       1.261500    
 H  -0.6765000       4.203300     -0.7554000    
 H  -0.9822000       4.226000       1.006000    
 H    1.349800       4.966100      0.4931000    
 H    1.353700       3.438100       1.406800    
 H    1.654600       3.414500     -0.3252000    


%chk=000028983-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028983

0 1
O 2.206540 -1.784585 -0.094814
O -0.782315 2.409997 -0.122604
O -3.055440 2.928210 -0.126560
N -3.370361 -1.430468 -0.024623
N 5.360693 0.214869 -0.193242
C -1.984080 -1.693987 -0.036778
C -1.295149 -0.439502 -0.071083
C -3.582188 -0.051513 -0.050408
C -2.321166 0.597575 -0.079145
C 0.122935 -0.422993 -0.092066
C -1.302674 -2.929809 -0.021579
C 0.803325 -1.659870 -0.077010
C -4.393603 -2.476663 0.010808
C -4.959484 0.544695 -0.045655
C 0.102352 -2.902113 -0.041816
C -2.147037 2.047489 -0.110834
C 2.994363 -0.542768 -0.136862
C 4.468465 -0.968459 -0.170637
C 6.657561 -0.055862 -0.845691
C 5.536131 0.836581 1.135906
C -0.511790 3.874834 -0.159344
C 1.005374 4.042999 -0.145376
H 0.642300 0.535222 -0.121237
H -1.836064 -3.885711 0.004757
H -5.394832 -2.021668 0.015712
H -4.311416 -3.133050 -0.875093
H -4.285962 -3.096760 0.919790
H -5.527232 0.261132 0.861727
H -4.867494 1.640854 -0.070621
H -5.549748 0.222766 -0.925386
H 0.688372 -3.825874 -0.031701
H 2.748853 0.043526 -1.043925
H 2.764938 0.073715 0.756238
H 4.675385 -1.647507 0.692482
H 4.634464 -1.555718 -1.091495
H 7.285883 -0.804817 -0.299333
H 7.237449 0.882179 -0.917837
H 6.489681 -0.431195 -1.870473
H 4.556822 1.095520 1.573866
H 6.115255 1.771771 1.033621
H 6.072654 0.172966 1.861599
H -0.973947 4.296040 -1.070858
H -0.996493 4.345759 0.715301
H 1.264090 5.117362 -0.176498
H 1.442093 3.608619 0.770832
H 1.466198 3.550913 -1.019457


