%chk=000149226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149226

0 1
 O    2.942400      0.3381000      2.8700000E-02
 O    1.707900      -1.604100      8.2500003E-02
 N   -1.129700      -1.292800      4.7499999E-02
 N    6.575100     -0.2269000      0.1404000    
 C   -2.966300     -2.7100001E-02 -5.0000001E-02
 C   -2.492300      -1.321200      4.4199999E-02
 C   -3.311300      -2.558200      0.1172000    
 C   -4.656100      -2.228000      0.7834000    
 C   -4.412900      0.1654000     -8.4100001E-02
 C   -1.826200      0.8363000     -6.3199997E-02
 C   -5.249800     -0.9164000      0.2953000    
 C  -0.6931000      1.1900000E-02 -1.1100000E-02
 C   0.6147000      0.5127000     -1.4100000E-02
 C   -1.620800       2.233500     -9.9600002E-02
 C   -4.995800       1.363000     -0.5096000    
 C   -6.641800     -0.7551000      0.2826000    
 C   0.7825000       1.897300     -6.3000001E-02
 C  -0.3178000       2.747100     -0.1020000    
 C   -6.385600       1.502400     -0.5308000    
 C   -7.205800      0.4497000     -0.1318000    
 C    1.769000     -0.3671000      3.7300002E-02
 C    5.344600      0.5251000      5.7700001E-02
 C    4.155600     -0.4205000      7.5000003E-02
 C    7.740800      0.6666000      0.1590000    
 C    6.693200      -1.173300     -0.9766000    
 C    7.628200       1.648100       1.309600    
 C    7.951400      -2.006400     -0.8245000    
 H   -3.483300      -2.927400     -0.9015000    
 H   -2.800600      -3.349700      0.6762000    
 H   -4.519600      -2.144700       1.869600    
 H   -5.351900      -3.056000      0.6030000    
 H  -0.5289000      -2.104100      0.1002000    
 H   -2.455000       2.927400     -0.1178000    
 H   -4.396300       2.201300     -0.8472000    
 H   -7.293300      -1.567500      0.5939000    
 H    1.766700       2.359000     -6.7199998E-02
 H  -0.1677000       3.823200     -0.1320000    
 H   -6.829100       2.437200     -0.8625000    
 H   -8.285400      0.5673000     -0.1459000    
 H    5.301300       1.158500     -0.8386000    
 H    5.204200       1.194700      0.9132000    
 H    4.159200      -1.033200      0.9848000    
 H    4.126900      -1.069500     -0.8038000    
 H    8.662500      0.1041000      0.3377000    
 H    7.855900       1.212200     -0.7858000    
 H    5.882800      -1.906300     -0.9715000    
 H    6.686000     -0.6682000      -1.950300    
 H    6.908200       2.448400       1.111500    
 H    7.364100       1.151100       2.249700    
 H    8.595900       2.138800       1.465600    
 H    8.857600      -1.452600      -1.088600    
 H    8.058900      -2.406500      0.1898000    
 H    7.907000      -2.863600      -1.506500    


%chk=000149226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149226

0 1
O 2.979819 0.552821 -0.051054
O 1.715370 -1.369642 0.315945
N -1.052464 -1.160096 0.249811
N 6.664758 -0.109409 -0.147887
C -3.020977 -0.013520 0.027970
C -2.443093 -1.268936 0.273649
C -3.231555 -2.532345 0.469126
C -4.592586 -2.156890 1.114781
C -4.482205 0.113776 -0.063526
C -1.920431 0.928057 -0.141560
C -5.277194 -0.975766 0.428013
C -0.703710 0.164369 0.003831
C 0.589132 0.742622 -0.088387
C -1.802891 2.322115 -0.374206
C -5.138362 1.234410 -0.638807
C -6.682790 -0.911294 0.327891
C 0.661446 2.137320 -0.334205
C -0.519168 2.909067 -0.469256
C -6.546561 1.288744 -0.723256
C -7.326415 0.214386 -0.240263
C 1.772226 -0.124326 0.078573
C 5.394331 0.650525 -0.237272
C 4.217665 -0.263810 0.123810
C 7.797482 0.688527 0.391650
C 6.994010 -0.837276 -1.404050
C 7.702697 0.905032 1.913874
C 7.852178 -2.093797 -1.163309
H -3.399812 -3.027430 -0.510466
H -2.692571 -3.256158 1.108952
H -4.404209 -1.884986 2.175023
H -5.263413 -3.034962 1.122681
H -0.341461 -1.882377 0.397181
H -2.690901 2.954932 -0.465810
H -4.546310 2.057769 -1.049689
H -7.284667 -1.748114 0.704093
H 1.645916 2.606948 -0.412355
H -0.434634 3.986142 -0.648720
H -7.031980 2.162267 -1.172971
H -8.419336 0.247735 -0.308755
H 5.227228 1.088572 -1.249202
H 5.417536 1.493964 0.475068
H 4.282284 -0.605520 1.171132
H 4.155379 -1.152433 -0.529533
H 8.730058 0.138051 0.171901
H 7.884311 1.676769 -0.127050
H 6.041379 -1.147305 -1.873398
H 7.502304 -0.165318 -2.141065
H 6.783549 1.451116 2.194803
H 7.692193 -0.067551 2.435693
H 8.565667 1.494512 2.276249
H 8.829564 -1.845841 -0.711050
H 7.328542 -2.785100 -0.480478
H 8.048872 -2.616346 -2.118124


