%chk=000105255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105255

0 1
 O    3.636200      -2.108800      0.2107000    
 O   -2.649700      -2.230700      0.2241000    
 O   -4.674800      -1.185900     -0.1015000    
 N   -4.258300       1.172100      -1.475800    
 N    5.177300     -0.2519000      -1.236800    
 C   0.5229000       1.375500       1.608700    
 C  -0.7305000       1.316300      0.8026000    
 C    1.761400      0.9384000      0.8526000    
 C   -1.496800      0.1509000      0.7887000    
 C   -1.136300       2.426800      6.2700003E-02
 C    2.131900     -0.3937000      0.8796000    
 C   -2.669000      9.6100003E-02  3.4600001E-02
 C    2.491300       1.882400      0.1535000    
 C   -3.075000       1.206600     -0.7054000    
 C    3.271600     -0.7959000      0.1835000    
 C   -2.308500       2.372000     -0.6913000    
 C    4.021200      0.1412000     -0.5278000    
 C    3.631100       1.480400     -0.5427000    
 C   -3.447700      -1.136000      4.1299999E-02
 C    3.102000      -2.950400     -0.8090000    
 C   -3.300400      -3.505600      0.2480000    
 H   0.6717000       2.393800       1.994700    
 H   0.4147000      0.7652000       2.516300    
 H   -1.171800     -0.6987000       1.384600    
 H  -0.5493000       3.341500      6.4900003E-02
 H    1.550200      -1.125200       1.433900    
 H    2.195900       2.927200      0.1364000    
 H   -2.613100       3.244800      -1.263400    
 H    4.206400       2.220700      -1.092900    
 H   -4.827300      0.3379000      -1.515100    
 H   -4.534500       1.987700      -2.006800    
 H    5.475600      -1.218000      -1.218700    
 H    5.716400      0.4341000      -1.747900    
 H    3.511600      -3.955100     -0.6733000    
 H    3.386000      -2.588400      -1.802100    
 H    2.011700      -3.003500     -0.7273000    
 H   -3.803200      -3.690300     -0.7059000    
 H   -4.014100      -3.549100       1.076000    
 H   -2.538000      -4.274200      0.3993000    


%chk=000105255-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105255

0 1
O 3.883167 -1.302421 -1.524376
O -3.556823 -2.050975 1.377118
O -4.854169 -1.454059 -0.456750
N -3.960185 0.542046 -2.016828
N 5.759129 0.505457 -0.955588
C 0.566672 0.937692 1.580499
C -0.624972 0.806238 0.635086
C 1.934087 0.857665 0.901133
C -1.637210 -0.141147 0.850814
C -0.751579 1.662929 -0.500586
C 2.224639 -0.198119 -0.007537
C -2.766282 -0.262916 -0.013583
C 2.948373 1.801165 1.175817
C -2.886117 0.615422 -1.151721
C 3.489978 -0.298030 -0.608136
C -1.846347 1.576429 -1.366703
C 4.524088 0.653996 -0.329030
C 4.225025 1.704003 0.573085
C -3.807561 -1.267115 0.243491
C 2.888459 -2.314067 -1.875147
C -4.581939 -3.072223 1.681764
H 0.507489 1.902786 2.123187
H 0.484806 0.147681 2.354540
H -1.579634 -0.819925 1.707794
H 0.036817 2.399205 -0.699629
H 1.439221 -0.925425 -0.240019
H 2.746203 2.625511 1.870758
H -1.920243 2.249461 -2.229912
H 4.997512 2.448780 0.800764
H -4.685761 -0.158744 -1.825433
H -4.023768 1.173154 -2.811066
H 5.894182 -0.274143 -1.592914
H 6.514538 1.161012 -0.786738
H 3.389658 -2.984346 -2.589549
H 2.000659 -1.854729 -2.351780
H 2.570412 -2.888536 -0.983230
H -4.677793 -3.784849 0.845018
H -5.560712 -2.595275 1.859449
H -4.215216 -3.573389 2.588937


