%chk=000145251.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145251

0 1
 O   0.5372000       1.807700      -1.963400    
 O    1.481600     -8.7600000E-02   1.643700    
 N    1.677000      -1.055100      -1.248400    
 C   -3.906100      0.2252000     -0.1921000    
 C   -1.235300      0.6668000     -0.8666000    
 C   -5.291200     -3.3000000E-03  0.1579000    
 C   -2.908600     -0.5938000      0.3369000    
 C   -3.568100       1.265000      -1.058500    
 C   -1.573200     -0.3729000     -3.0000001E-04
 C   -2.232800       1.485700      -1.395700    
 C   0.1571000      0.8972000      -1.217700    
 C    1.269200      2.9999999E-02 -0.6634000    
 C   -6.073500     -0.8616000     -0.6148000    
 C   -5.844300      0.6344000       1.268300    
 C    1.966100      0.3712000      0.6199000    
 C    3.172600       1.227900      0.6124000    
 C   -7.408900      -1.082000     -0.2772000    
 C   -7.179500      0.4139000       1.606100    
 C    2.705800      -1.817900     -0.6711000    
 C   -7.961800     -0.4442000      0.8333000    
 C    3.647800       1.708900     -0.5932000    
 C    3.793200       1.524600       1.811200    
 C    4.785300       2.516300     -0.6002000    
 C    4.930500       2.332100       1.804300    
 C    2.392100      -2.832700      0.2279000    
 C    4.031100      -1.553300      -1.002300    
 C    5.426700       2.827800      0.5986000    
 C    3.413600      -3.590200      0.8011000    
 C    5.052600      -2.310800     -0.4292000    
 C    4.743700      -3.329300      0.4725000    
 H   -3.155100      -1.409600       1.012600    
 H   -4.333300       1.912800      -1.479700    
 H  -0.8261000      -1.034800      0.4265000    
 H   -1.991700       2.301300      -2.072400    
 H   -5.658200      -1.366900      -1.483700    
 H   -5.248500       1.306500       1.881500    
 H   -8.018100      -1.750200     -0.8787000    
 H   -7.610200      0.9104000       2.470700    
 H   -9.001500     -0.6158000       1.096300    
 H    3.177200       1.491500      -1.545600    
 H    3.421700       1.146800       2.759100    
 H    5.171700       2.902600      -1.538800    
 H    5.430300       2.574500       2.737600    
 H    1.358400      -3.043600      0.4886000    
 H    4.285100     -0.7870000      -1.728200    
 H    6.312400       3.456200      0.5932000    
 H    3.173100      -4.383400       1.502900    
 H    6.087900      -2.112400     -0.6906000    
 H    5.539000      -3.920000      0.9176000    


%chk=000145251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145251

0 1
O 0.387388 2.675089 0.367582
O 2.377150 1.305592 2.664363
N 1.326724 -0.709964 0.202050
C -3.996037 0.110899 -0.099769
C -1.263340 0.916587 0.225651
C -5.415527 -0.307969 -0.264046
C -3.004851 -0.808897 0.344021
C -3.587238 1.449098 -0.375826
C -1.662201 -0.420538 0.503141
C -2.251594 1.844420 -0.212351
C 0.123247 1.427136 0.410393
C 1.312932 0.518522 0.654372
C -6.239703 0.276101 -1.266566
C -5.986592 -1.301349 0.580283
C 2.466204 1.218032 1.403177
C 3.635381 1.720757 0.633132
C -7.584837 -0.119798 -1.420865
C -7.332222 -1.696007 0.428536
C 2.399702 -1.632250 0.350959
C -8.138795 -1.107694 -0.573517
C 3.676141 1.654084 -0.784858
C 4.725823 2.295403 1.342333
C 4.794966 2.151722 -1.483724
C 5.841464 2.791087 0.642390
C 3.130335 -1.812005 1.562008
C 2.660652 -2.485318 -0.757787
C 5.878601 2.718940 -0.772668
C 4.119822 -2.814457 1.638675
C 3.675762 -3.458787 -0.680262
C 4.409114 -3.629843 0.519404
H -3.284313 -1.850234 0.537430
H -4.333205 2.188900 -0.685884
H -0.918004 -1.150796 0.826336
H -1.942236 2.877567 -0.401798
H -5.815522 1.020626 -1.949475
H -5.383224 -1.741934 1.381743
H -8.198426 0.335681 -2.206047
H -7.754473 -2.454621 1.096872
H -9.183936 -1.414060 -0.691914
H 2.833178 1.225607 -1.338513
H 4.668328 2.344141 2.434934
H 4.823760 2.102770 -2.577401
H 6.680201 3.234886 1.189543
H 2.899763 -1.199867 2.439259
H 2.060481 -2.360498 -1.664741
H 6.746964 3.106430 -1.317443
H 4.667129 -2.957894 2.576855
H 3.883866 -4.096395 -1.546412
H 5.185195 -4.400003 0.585323


