%chk=000113525.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113525

0 1
 O    3.961600       1.544600      -1.501900    
 O   -5.629900      0.1770000      0.9609000    
 N    3.844700      0.1651000      0.3633000    
 N   -6.315600     -1.3400000E-02  -1.225400    
 C  -0.5862000       1.624800      0.7257000    
 C   0.7713000       1.987200      0.1194000    
 C   -1.676500       1.383600     -0.3222000    
 C    1.837700       2.145300       1.205200    
 C   -3.013800      0.9495000      0.2804000    
 C    3.202400       2.469700      0.6020000    
 C   -4.041900      0.6523000     -0.8100000    
 C    3.154500      -1.844800     -0.8584000    
 C    4.311800      -1.042100     -0.2777000    
 C    3.708500       1.368600     -0.3132000    
 C    2.156200      -2.248100      0.2274000    
 C   0.9752000      -3.021000     -0.3633000    
 C   -5.389300      0.2544000     -0.2402000    
 C   1.1900000E-02  -3.444700      0.7057000    
 C   -1.282600      -3.108100      0.7225000    
 H  -0.9083000       2.425000       1.403300    
 H  -0.4760000      0.7189000       1.335100    
 H   0.6813000       2.918200     -0.4531000    
 H    1.060100       1.199800     -0.5864000    
 H   -1.820500       2.299200     -0.9091000    
 H   -1.331100      0.6108000      -1.020700    
 H    1.882000       1.237600       1.817100    
 H    1.549700       2.961500       1.879000    
 H   -2.867700      5.6600001E-02  0.9008000    
 H   -3.389400       1.737600      0.9445000    
 H    3.153300       3.401700      2.7200000E-02
 H    3.938000       2.617700       1.401100    
 H   -4.185900       1.537700      -1.440700    
 H   -3.684900     -0.1636000      -1.449700    
 H    2.641200      -1.251400      -1.625200    
 H    3.549100      -2.740900      -1.351300    
 H    4.849300      -1.626700      0.4763000    
 H    5.018800     -0.7793000      -1.071800    
 H    2.665300      -2.861800      0.9815000    
 H    1.771500      -1.360100      0.7438000    
 H    3.654300      0.1222000       1.359500    
 H   0.4718000      -2.405000      -1.118500    
 H    1.340900      -3.919400     -0.8750000    
 H   0.3947000      -4.078100       1.501800    
 H   -7.262100     -0.2928000     -0.9897000    
 H   -6.093000      5.7000000E-02  -2.213200    
 H   -1.930000      -3.454100       1.520800    
 H   -1.717000      -2.484300     -5.1100001E-02


%chk=000113525-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113525

0 1
O 4.514513 1.181697 -1.281660
O -4.833043 -1.502306 0.626688
N 3.793003 0.212898 0.701741
N -6.381368 -0.037358 -0.279739
C -0.511040 1.743774 0.618960
C 0.847877 2.049893 -0.049215
C -1.600641 1.311340 -0.387995
C 1.919587 2.537491 0.952635
C -2.869346 0.764706 0.301439
C 3.342517 2.621940 0.341748
C -3.976374 0.377038 -0.709584
C 3.237291 -1.967034 -0.452229
C 4.268706 -1.139450 0.354080
C 3.923559 1.289421 -0.162299
C 1.893472 -2.175021 0.279665
C 0.893079 -3.041482 -0.533466
C -5.080703 -0.465663 -0.060779
C -0.463849 -3.140148 0.133994
C -1.640674 -2.753539 -0.421504
H -0.859328 2.631802 1.186957
H -0.370203 0.932873 1.364744
H 0.716385 2.814474 -0.842100
H 1.209779 1.134981 -0.560778
H -1.858292 2.167637 -1.045970
H -1.188194 0.519814 -1.048032
H 1.915541 1.876049 1.845795
H 1.638689 3.540347 1.332045
H -2.609654 -0.137427 0.885929
H -3.266005 1.512320 1.018133
H 3.341169 3.301280 -0.528473
H 4.045705 3.049463 1.084917
H -4.391663 1.278352 -1.200785
H -3.522877 -0.247564 -1.504974
H 3.063225 -1.460134 -1.420779
H 3.693293 -2.951530 -0.684487
H 4.528861 -1.664004 1.293516
H 5.188337 -1.019367 -0.245202
H 2.070553 -2.651618 1.267318
H 1.424784 -1.190858 0.480712
H 3.276943 0.342075 1.572634
H 0.778953 -2.615836 -1.549910
H 1.328383 -4.055713 -0.659750
H -0.466470 -3.543841 1.159811
H -7.147431 -0.581082 0.118432
H -6.592547 0.796777 -0.823729
H -2.596228 -2.811824 0.112496
H -1.672875 -2.351743 -1.444450


