%chk=000041300.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041300

0 1
 O  -0.5327000     -0.3792000       1.851800    
 N   -2.490500      0.2265000     -0.1776000    
 C   -2.971100      -1.124000     -0.4886000    
 C   -3.210600       1.296500     -0.8696000    
 C   -1.049200      0.3094000     -0.4209000    
 C   -4.487200      -1.333100     -0.5516000    
 C   -4.384200       1.792900     -2.0400001E-02
 C   -5.281500     -0.5668000      0.5009000    
 C   -5.590000      0.8617000      5.9400000E-02
 C  -0.2870000     -0.6728000      0.4770000    
 C    3.226100      0.6477000      0.1793000    
 C    4.158400       1.807600      0.3332000    
 C    3.922200     -0.5036000     -0.2072000    
 C    1.191600     -0.5999000      0.2395000    
 C    5.381500       1.312200     -0.4531000    
 C    5.384400     -0.2203000     -0.3476000    
 C    1.861800      0.6132000      0.4122000    
 C    3.268200      -1.713300     -0.3688000    
 C    1.889800      -1.754700     -0.1481000    
 H   -2.629700      -1.807500      0.2968000    
 H   -2.549800      -1.484500      -1.436700    
 H   -3.532100       1.000600      -1.875700    
 H   -2.555400       2.166500      -1.010100    
 H  -0.8133000      0.1354000      -1.479300    
 H  -0.7278000       1.330200     -0.1790000    
 H   -4.681700      -2.406000     -0.4238000    
 H   -4.854500      -1.079600      -1.554000    
 H   -4.726100       2.751500     -0.4313000    
 H   -4.031500       2.012600      0.9962000    
 H   -4.769600     -0.5767000       1.470000    
 H   -6.239500      -1.081600      0.6463000    
 H   -6.092600      0.8413000     -0.9159000    
 H   -6.311000       1.296000      0.7631000    
 H  -0.5991000      -1.707000      0.3053000    
 H    3.755600       2.729600     -9.4999999E-02
 H    4.401700       1.958000       1.390000    
 H    6.315700       1.757300     -9.6699998E-02
 H    5.269700       1.598900      -1.508200    
 H    5.920700     -0.5544000      0.5465000    
 H    5.817400     -0.6808000      -1.240100    
 H    1.346000       1.511300      0.7355000    
 H    3.807400      -2.609000     -0.6575000    
 H    1.368000      -2.699900     -0.2770000    
 H   -1.495700     -0.3937000       1.985800    


%chk=000041300-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041300

0 1
O -0.800878 -0.048767 1.474758
N -2.524776 -0.145668 -0.560225
C -3.255742 -1.437691 -0.430366
C -3.231751 0.945206 -1.289513
C -1.098681 -0.349344 -0.921385
C -4.768612 -1.308089 -0.141605
C -4.076485 1.833924 -0.344911
C -5.161982 -0.208428 0.878122
C -5.359269 1.179529 0.218110
C -0.311187 -0.834279 0.346131
C 3.241215 0.618662 0.485458
C 4.182117 1.700206 1.004092
C 3.958135 -0.310981 -0.314201
C 1.188576 -0.658280 0.158025
C 5.420603 1.574189 0.061909
C 5.429215 0.081187 -0.396249
C 1.864275 0.450853 0.726294
C 3.295238 -1.423557 -0.869924
C 1.910150 -1.592590 -0.629069
H -2.781602 -1.996522 0.399725
H -3.120145 -2.055915 -1.351931
H -3.865788 0.544682 -2.112893
H -2.464056 1.581243 -1.767520
H -0.954357 -1.070283 -1.758747
H -0.673799 0.623876 -1.224290
H -5.107576 -2.297896 0.221983
H -5.322121 -1.125095 -1.084051
H -4.361396 2.756342 -0.892432
H -3.418450 2.147098 0.489969
H -4.403122 -0.146321 1.683537
H -6.114949 -0.497776 1.363394
H -6.100817 1.067855 -0.601064
H -5.811769 1.874219 0.953830
H -0.528008 -1.912516 0.518994
H 3.734635 2.710457 0.990310
H 4.465818 1.487083 2.055331
H 6.363203 1.877408 0.550475
H 5.273341 2.224286 -0.821032
H 6.031962 -0.537959 0.299908
H 5.861071 -0.053439 -1.404689
H 1.292139 1.140997 1.354280
H 3.840639 -2.153803 -1.479738
H 1.388329 -2.461614 -1.051257
H -1.730540 0.216011 1.167458


