%chk=000006524.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006524

2 1
 O  -0.5646000      1.6400000E-02  0.2504000    
 O   0.4012000     -0.2488000      -1.827800    
 N    4.268400      6.3299999E-02  0.1435000    
 N   -4.268400     -2.0500001E-02  0.1143000    
 C    3.017100     -2.5200000E-02 -0.7183000    
 C   -2.923000      8.8600002E-02  0.7324000    
 C    4.249500       1.363900      0.9335000    
 C    5.501400      2.8999999E-02 -0.7480000    
 C    4.305600      -1.114600       1.106400    
 C   -4.488500       1.099200     -0.9121000    
 C   -4.429300      -1.366400     -0.6053000    
 C   -5.367800      8.5800000E-02   1.179900    
 C    1.777900      8.1000002E-03  0.1633000    
 C   -1.864800     -5.1500000E-02 -0.3440000    
 C    4.212400       2.530900     -2.8800000E-02
 C    6.741900      0.1173000      0.1138000    
 C    4.324300      -2.404400      0.3155000    
 C   -5.881200      0.9778000      -1.490900    
 C   -4.216800      -2.489800      0.3858000    
 C   -5.280200       1.438200       1.852900    
 C   0.4851000     -9.7400002E-02 -0.6168000    
 H    3.058500     -0.9314000      -1.330200    
 H    3.018000      0.7874000      -1.451000    
 H   -2.801100       1.083600       1.173000    
 H   -2.800700     -0.6282000       1.550600    
 H    5.122700       1.408300       1.589600    
 H    3.394200       1.369700       1.614000    
 H    5.453500      0.8449000      -1.473900    
 H    5.492700     -0.8809000      -1.353800    
 H    3.451600      -1.064700       1.786400    
 H    5.179000      -1.028400       1.758200    
 H   -4.284800       2.072600     -0.4585000    
 H   -3.785700      0.9569000      -1.737900    
 H   -5.460600      -1.458400     -0.9562000    
 H   -3.773200      -1.418200      -1.477600    
 H   -5.164400     -0.6630000       1.951200    
 H   -6.349900     -0.1353000      0.7552000    
 H    1.739900     -0.8306000      0.8619000    
 H    1.692100      0.9503000      0.7104000    
 H   -1.911200      0.7587000      -1.076100    
 H   -1.912600      -1.014300     -0.8573000    
 H    4.197200       3.450300      0.5715000    
 H    3.311200       2.587200     -0.6421000    
 H    5.097400       2.629000     -0.6602000    
 H    7.609900      9.0899996E-02 -0.5583000    
 H    6.890300     -0.7287000      0.7875000    
 H    6.849200       1.053600      0.6646000    
 H    4.350700      -3.231200       1.037600    
 H    5.213600      -2.548700     -0.3007000    
 H    3.427200      -2.586600     -0.2792000    
 H   -6.001300       1.786000      -2.224800    
 H   -6.689200       1.136600     -0.7743000    
 H   -6.062900      6.4400002E-02  -2.060200    
 H   -4.338800      -3.440000     -0.1497000    
 H   -4.951000      -2.521900       1.193400    
 H   -3.209600      -2.524400      0.8070000    
 H   -6.049100       1.475300       2.635300    
 H   -5.503300       2.279600       1.193500    
 H   -4.337000       1.621500       2.371500    


%chk=000006524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006524

2 1
O -0.633622 -0.002338 0.256690
O 0.549363 0.091572 -1.748265
N 4.381955 0.086536 0.242954
N -4.432256 -0.061621 -0.003996
C 3.029821 -0.159642 -0.452281
C -2.990603 -0.020157 0.533790
C 4.540462 1.571893 0.675238
C 5.477097 -0.300373 -0.800070
C 4.520956 -0.770310 1.533268
C -4.721857 1.250668 -0.795097
C -4.655152 -1.277520 -0.952739
C -5.402373 -0.199260 1.210673
C 1.774590 0.097394 0.404940
C -1.894328 0.001768 -0.543458
C 4.427324 2.610258 -0.445070
C 6.925273 -0.108754 -0.341918
C 4.429286 -2.286888 1.337402
C -6.170439 1.438993 -1.260363
C -4.258949 -2.646317 -0.387141
C -5.417996 0.981140 2.188627
C 0.545491 0.058346 -0.502053
H 3.042568 -1.203959 -0.803616
H 3.007728 0.478244 -1.349619
H -2.904146 0.881556 1.159902
H -2.854183 -0.901817 1.179947
H 5.526351 1.633240 1.163569
H 3.781085 1.746837 1.456538
H 5.264151 0.306057 -1.695847
H 5.283970 -1.354579 -1.058091
H 3.735530 -0.411144 2.220112
H 5.492178 -0.493760 1.974614
H -4.413563 2.077149 -0.133331
H -4.045825 1.235875 -1.666937
H -5.728180 -1.265406 -1.201545
H -4.096064 -1.054739 -1.878060
H -5.105388 -1.125333 1.729484
H -6.402058 -0.359839 0.775698
H 1.642190 -0.644254 1.211492
H 1.790459 1.093510 0.886365
H -1.906699 0.906923 -1.174184
H -1.897343 -0.886715 -1.198018
H 4.566428 3.606812 0.010207
H 3.441070 2.619800 -0.939192
H 5.209657 2.503878 -1.214780
H 7.579437 -0.436683 -1.169249
H 7.192537 -0.723815 0.533562
H 7.182862 0.943204 -0.134965
H 4.503185 -2.757570 2.333700
H 5.256028 -2.695780 0.733805
H 3.471635 -2.615812 0.898698
H -6.220703 2.400962 -1.800871
H -6.890178 1.504878 -0.428378
H -6.507037 0.663802 -1.967989
H -4.486340 -3.400548 -1.161255
H -4.836210 -2.932660 0.507030
H -3.182574 -2.735189 -0.162720
H -6.159199 0.746543 2.973309
H -5.738392 1.928527 1.724757
H -4.456310 1.138221 2.704824


