%chk=000147925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147925

0 1
 O    2.879700     -0.6276000     -0.8396000    
 O   -2.869800      0.6596000      0.7817000    
 O    4.803400      -2.520200     -0.1565000    
 O   -4.819300       2.523500      9.2799999E-02
 N    8.505400       2.313400      0.2920000    
 N   -8.495400      -2.343100     -0.1739000    
 N    9.042100      6.8099998E-02  0.6552000    
 N   -9.053300     -0.1110000     -0.5832000    
 C   0.5723000     -0.4556000     -0.2228000    
 C  -0.5733000      0.4884000      0.1254000    
 C    1.851600      0.3058000     -0.5391000    
 C   -1.841000     -0.2740000      0.4834000    
 C    4.164600     -0.2469000     -0.5517000    
 C   -4.157200      0.2639000      0.5268000    
 C    5.125900      -1.197700     -0.2091000    
 C   -5.131700       1.200600      0.1825000    
 C    4.507400       1.104300     -0.6025000    
 C   -4.489500      -1.087900      0.6150000    
 C    6.772600      0.5538000      3.2000002E-02
 C   -6.770900     -0.5665000      1.4800000E-02
 C    6.429900     -0.7974000      8.2599998E-02
 C   -6.438500      0.7853000     -7.3700003E-02
 C    5.811300       1.504700     -0.3106000    
 C   -5.796300      -1.503200      0.3591000    
 C    8.132400      0.9712000      0.3352000    
 C   -8.133100     -0.9997000     -0.2531000    
 C    5.844000      -3.427400      0.2020000    
 C   -5.873200       3.415500     -0.2646000    
 H   0.7594000      -1.147500      0.6081000    
 H   0.3010000      -1.083900      -1.080400    
 H  -0.7779000       1.162400     -0.7158000    
 H  -0.2923000       1.135200      0.9660000    
 H    2.102300      0.9163000      0.3384000    
 H    1.694500      0.9592000      -1.405200    
 H   -2.103400     -0.9062000     -0.3751000    
 H   -1.663500     -0.9061000       1.361200    
 H    3.798600       1.874100     -0.8929000    
 H   -3.769700      -1.846300      0.9083000    
 H    7.203400      -1.506800      0.3524000    
 H   -7.222100       1.483300     -0.3439000    
 H    6.026100       2.565900     -0.3715000    
 H   -6.002300      -2.564100      0.4482000    
 H    5.410100      -4.432800      0.1940000    
 H    6.204800      -3.247300       1.220500    
 H    6.653400      -3.426900     -0.5362000    
 H   -5.446100       4.423600     -0.2883000    
 H   -6.667200       3.426700      0.4898000    
 H   -6.253400       3.210000      -1.271100    
 H    9.459700       2.584700      0.5051000    
 H    7.873000       3.068100      5.7000000E-02
 H   -9.450900      -2.626000     -0.3662000    
 H   -7.854200      -3.087600      6.9799997E-02
 H    9.929300      0.5527000      0.8303000    
 H   -9.939800     -0.6055000     -0.7325000    


%chk=000147925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147925

0 1
O 3.018370 -0.644507 0.065721
O -3.019430 0.643905 -0.063271
O 4.939611 -2.460430 0.281640
O -4.940726 2.460051 -0.276816
N 8.821917 2.342134 0.213587
N -8.822704 -2.342884 -0.223350
N 9.402013 0.038523 -0.243034
N -9.403017 -0.040725 0.240211
C 0.617262 -0.462566 0.044958
C -0.618329 0.461887 -0.042721
C 1.921259 0.333112 -0.042579
C -1.922349 -0.333969 0.042938
C 4.326698 -0.155325 0.026671
C -4.327688 0.154471 -0.026363
C 5.367918 -1.135572 0.146202
C -5.368984 1.134846 -0.144588
C 4.676474 1.203934 -0.125005
C -4.677342 -1.205123 0.122237
C 7.062282 0.641517 -0.014923
C -7.063186 -0.642830 0.011369
C 6.712418 -0.728066 0.124632
C -6.713423 0.727129 -0.124920
C 6.033925 1.600908 -0.146981
C -6.034785 -1.602328 0.142355
C 8.518148 0.995502 -0.021705
C -8.519022 -0.996976 0.016237
C 5.983662 -3.483422 0.395743
C -5.984841 3.483008 -0.390610
H 0.612338 -1.027889 0.996506
H 0.602627 -1.207911 -0.773052
H -0.612689 1.028338 -0.993602
H -0.604413 1.206264 0.776171
H 1.994179 1.071600 0.783513
H 1.993608 0.873620 -1.009848
H -1.995330 -1.070600 -0.784792
H -1.994687 -0.876622 1.009009
H 3.897213 1.962740 -0.238315
H -3.898044 -1.964052 0.234560
H 7.539394 -1.439235 0.199985
H -7.540474 1.438303 -0.199455
H 6.263371 2.658474 -0.318494
H -6.264255 -2.660214 0.311768
H 5.439834 -4.435152 0.485687
H 6.609345 -3.320165 1.294580
H 6.629860 -3.500687 -0.502925
H -5.441096 4.434960 -0.478705
H -6.631940 3.498942 0.507436
H -6.609593 3.320862 -1.290293
H 9.786747 2.662395 0.171606
H 8.115268 2.996830 0.539590
H -9.787496 -2.663411 -0.182431
H -8.116024 -2.996362 -0.551719
H 10.388090 0.368193 -0.195414
H -10.389062 -0.370323 0.191100


