%chk=000060724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060724

0 1
 O   0.2413000      0.5673000      0.5595000    
 O    1.272400      -1.198900     -0.5147000    
 O    5.402100     -0.6974000     -0.8435000    
 N    3.575600     -0.6876000      0.6214000    
 C   -3.460700      0.9523000     -0.1575000    
 C   -3.836900     -0.5083000      0.1873000    
 C   -2.784200      -1.537300     -0.2573000    
 C   -2.042700       1.265200      0.3661000    
 C  -0.9925000      0.2468000     -7.8000002E-02
 C   -1.401800      -1.176300      0.2956000    
 C   -3.542500       1.190700      -1.677500    
 C   -4.465500       1.900900      0.5237000    
 C   -3.188300      -2.943100      0.1875000    
 C    2.516000      0.2101000      0.9851000    
 C    1.296400     -0.2426000      0.2482000    
 C    3.014500       1.565100      0.5198000    
 C    3.954900       1.243000     -0.6414000    
 C    4.442000     -0.1496000     -0.3242000    
 H   -4.806100     -0.7591000     -0.2637000    
 H   -3.974400     -0.5952000       1.274300    
 H   -2.731800      -1.544100      -1.353000    
 H   -2.052100       1.300000       1.464900    
 H   -1.728400       2.270000      5.3500000E-02
 H  -0.8472000      0.3271000      -1.162400    
 H   -1.396800      -1.275600       1.390100    
 H  -0.7095000      -1.939500     -6.3199997E-02
 H   -3.298600       2.230400      -1.924200    
 H   -2.855900      0.5531000      -2.241200    
 H   -4.553500      0.9914000      -2.051100    
 H   -5.487800       1.707700      0.1795000    
 H   -4.453200       1.778300       1.612600    
 H   -4.231000       2.948800      0.3052000    
 H   -2.460500      -3.684900     -0.1579000    
 H   -3.251900      -3.013800       1.278700    
 H   -4.164800      -3.215000     -0.2269000    
 H    2.345300      0.1501000       2.063600    
 H    3.593600       2.036400       1.324100    
 H    2.225800       2.263900      0.2256000    
 H    4.788500       1.947100     -0.6962000    
 H    3.418700       1.219600      -1.595200    
 H    3.664800      -1.632300      0.9826000    


%chk=000060724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060724

0 1
O 0.307361 0.165205 0.518123
O 1.391908 -1.110649 -1.115422
O 5.709566 0.242077 -1.189664
N 3.900954 -0.564794 0.094190
C -3.379146 0.945205 -0.277943
C -3.940694 -0.406968 0.259917
C -3.060468 -1.640444 -0.066441
C -1.908939 1.114920 0.218081
C -1.036999 -0.099234 -0.120983
C -1.611738 -1.408234 0.440932
C -3.446973 0.992607 -1.829639
C -4.229975 2.110725 0.287888
C -3.653071 -2.930361 0.541025
C 2.683756 -0.087863 0.749420
C 1.421661 -0.409685 -0.078961
C 2.959108 1.447726 0.920577
C 3.995420 1.777755 -0.180204
C 4.671404 0.432054 -0.505004
H -4.962460 -0.561860 -0.141695
H -4.040294 -0.334444 1.364543
H -3.024187 -1.769894 -1.168538
H -1.909532 1.244497 1.319017
H -1.465803 2.029744 -0.220296
H -0.860366 -0.194337 -1.208337
H -1.619539 -1.347646 1.548566
H -0.965195 -2.257813 0.152695
H -3.050599 1.953453 -2.208717
H -2.870061 0.181669 -2.308690
H -4.495332 0.901921 -2.170963
H -5.284116 2.021764 -0.036321
H -4.214459 2.116601 1.394316
H -3.850039 3.089088 -0.062879
H -3.037078 -3.813473 0.288781
H -3.704413 -2.857403 1.644592
H -4.677579 -3.113189 0.166977
H 2.535452 -0.560889 1.739003
H 3.397034 1.619049 1.918674
H 2.026939 2.027798 0.852003
H 4.751755 2.515755 0.129983
H 3.524827 2.152789 -1.108066
H 4.055211 -1.548518 -0.130739


