%chk=000115932.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115932

0 1
 O   -1.261100      -2.680300      0.1675000    
 O    4.474700     -0.1608000     -0.4690000    
 N   -4.356900      0.1865000      0.3920000    
 C   -5.700700     -0.3333000      0.6816000    
 C   -4.346200      0.9669000     -0.8533000    
 C   -6.716000      0.8034000      0.8113000    
 C   -5.317200       2.145800     -0.7739000    
 C   -6.728900       1.680100     -0.4357000    
 C   -3.389800     -0.9082000      0.3180000    
 C   -1.967400     -0.3753000      0.1464000    
 C  -0.9399000      -1.496400      9.1600001E-02
 C   0.5022000      -1.140900     -5.8100000E-02
 C    6.365100      0.9981000      0.5069000    
 C    4.896600       1.085900      8.2199998E-02
 C   0.8479000      0.1885000     -0.1410000    
 C    1.429800      -2.156000     -0.1066000    
 C    3.160100     -0.4852000     -0.3327000    
 C    2.195400      0.5209000     -0.2803000    
 C    2.777400      -1.823600     -0.2458000    
 C    6.802200       2.295100       1.184300    
 C    7.272600      0.6889000     -0.6855000    
 H   -5.689200     -0.8883000       1.627700    
 H   -6.027300      -1.030300     -0.1015000    
 H   -4.598000      0.3366000      -1.716200    
 H   -3.369500       1.418400      -1.045400    
 H   -7.716000      0.3889000      0.9821000    
 H   -6.470300       1.417300       1.687200    
 H   -4.974100       2.855100     -9.7000003E-03
 H   -5.325900       2.684300      -1.728400    
 H   -7.138500       1.110900      -1.279100    
 H   -7.383700       2.544500     -0.2814000    
 H   -3.635400      -1.599000     -0.4999000    
 H   -3.428000      -1.493000       1.246500    
 H   -1.863000      0.1575000     -0.8025000    
 H   -1.726800      0.2877000      0.9852000    
 H    6.472500      0.1732000       1.223000    
 H    4.309800       1.341900      0.9745000    
 H    4.764300       1.871600     -0.6715000    
 H   0.1333000       1.002800     -0.1111000    
 H    1.153400      -3.203700     -4.0600002E-02
 H    2.447900       1.573100     -0.3726000    
 H    3.524800      -2.611400     -0.2859000    
 H    7.844000       2.229200       1.515100    
 H    6.185600       2.501600       2.065500    
 H    6.716600       3.148500      0.5029000    
 H    8.320000      0.6311000     -0.3705000    
 H    7.193600       1.463900      -1.455500    
 H    7.012400     -0.2712000      -1.142800    


%chk=000115932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115932

0 1
O -1.308552 -2.700424 -0.027111
O 4.620473 -0.261359 0.328198
N -4.484157 0.133063 0.120480
C -5.809790 -0.461032 0.441694
C -4.592430 1.099625 -1.003645
C -6.833301 0.627782 0.821996
C -5.580395 2.237167 -0.674075
C -6.970749 1.668143 -0.312344
C -3.463484 -0.918227 -0.121097
C -2.029347 -0.369690 -0.016843
C -0.970002 -1.476867 0.011220
C 0.473411 -1.089212 0.092248
C 6.663658 1.051392 0.480834
C 5.130212 1.122855 0.425109
C 0.908609 0.259407 0.172776
C 1.459676 -2.119523 0.094081
C 3.242089 -0.458608 0.251695
C 2.278009 0.583776 0.252756
C 2.823727 -1.814905 0.171220
C 7.232128 2.463315 0.758074
C 7.246268 0.448622 -0.816942
H -5.675866 -1.166866 1.282614
H -6.209688 -1.050742 -0.426892
H -4.928282 0.581198 -1.942935
H -3.592445 1.524713 -1.206950
H -7.809907 0.154064 1.040156
H -6.488853 1.131398 1.746075
H -5.184171 2.815756 0.182888
H -5.651199 2.923707 -1.539966
H -7.412386 1.180744 -1.206378
H -7.658986 2.481711 -0.014062
H -3.602173 -1.422904 -1.109528
H -3.588494 -1.704461 0.644529
H -1.798797 0.318351 -0.854500
H -1.953835 0.237237 0.908371
H 6.929738 0.388350 1.328289
H 4.722681 1.597665 1.341481
H 4.796828 1.701827 -0.462337
H 0.177401 1.074557 0.178057
H 1.115895 -3.157360 0.034069
H 2.581887 1.632351 0.316101
H 3.587592 -2.598271 0.173404
H 8.334620 2.429236 0.816837
H 6.855616 2.879206 1.711643
H 6.962895 3.166390 -0.053850
H 8.343723 0.343209 -0.740384
H 7.028608 1.101366 -1.684831
H 6.813946 -0.546430 -1.017226


