%chk=000130817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130817

0 1
 O  -0.8069000       1.763500       1.388600    
 O    3.214500       2.396900      -2.232000    
 N    1.715300     -0.4469000      0.2550000    
 N   -2.639700     -0.7950000      -1.183500    
 N    3.949900     -0.9454000       1.068700    
 N   -4.793000     -0.2821000     -0.2093000    
 C   0.8660000      0.3665000     -0.5045000    
 C  -0.5754000      0.2201000     -0.4076000    
 C    3.125800     -0.2208000      0.2628000    
 C   -1.275500     -0.5967000      -1.207000    
 C   -3.445400     -9.9200003E-02 -0.2473000    
 C   -2.823200      0.7878000      0.6456000    
 C    1.282600      -1.539400       1.128400    
 C   -1.351800      0.9912000      0.6084000    
 C    3.661500      0.7636000     -0.5797000    
 C    1.322300       1.322800      -1.333800    
 C   -3.334600      -1.702600      -2.087800    
 C    2.776400       1.561700      -1.451400    
 C   -3.593500       1.486500       1.578800    
 C    5.039200      0.9977000     -0.5982000    
 C    1.281900      -2.849600      0.3645000    
 C    5.279700     -0.6981000       1.033400    
 C   -5.512400      0.4080000      0.7048000    
 C   -3.414100      -3.088700      -1.477300    
 C   -4.966300       1.294800       1.611600    
 C    5.868600      0.2525000      0.2247000    
 C    6.134200      -1.522500       1.936900    
 C   -6.986100      0.1733000      0.7071000    
 H  -0.7784000      -1.189300      -1.969600    
 H    1.890700      -1.624900       2.037300    
 H   0.2692000      -1.354500       1.504100    
 H   0.6666000       1.953300      -1.925800    
 H   -4.333700      -1.342500      -2.361700    
 H   -2.785800      -1.769900      -3.036200    
 H   -3.140700       2.179200       2.282400    
 H    5.476300       1.754600      -1.243200    
 H   0.6305000      -2.807300     -0.5135000    
 H    2.287300      -3.111300      1.8500000E-02
 H   0.9266000      -3.661100       1.007500    
 H   -2.416300      -3.484300      -1.258900    
 H   -3.982600      -3.082800     -0.5415000    
 H   -3.907800      -3.779400      -2.168100    
 H   -5.579900       1.828600       2.329200    
 H    6.940000      0.4203000      0.2255000    
 H    5.528900      -2.229700       2.513500    
 H    6.860900      -2.097400       1.354200    
 H    6.669400     -0.8814000       2.644600    
 H   -7.307400     -0.2209000       1.676400    
 H   -7.520800       1.106800      0.5050000    
 H   -7.270000     -0.5517000     -6.2799998E-02


%chk=000130817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130817

0 1
O -0.680731 1.242446 1.897275
O 3.161155 1.854813 -2.878458
N 1.801713 -0.324759 0.453146
N -2.678098 -0.611101 -1.289221
N 4.021657 -0.754860 1.157492
N -4.789106 -0.244278 -0.286306
C 0.900882 0.256247 -0.446825
C -0.570779 0.090402 -0.241558
C 3.187924 -0.157323 0.248127
C -1.301438 -0.498530 -1.267802
C -3.430472 -0.099884 -0.215541
C -2.751944 0.536555 0.867145
C 1.347595 -1.201411 1.572959
C -1.272826 0.665287 0.918655
C 3.670332 0.593293 -0.867994
C 1.339273 0.984836 -1.549273
C -3.354692 -1.321193 -2.413101
C 2.745140 1.201100 -1.856154
C -3.562486 1.050344 1.913300
C 5.075633 0.727269 -1.003568
C 1.145783 -2.661326 1.122097
C 5.365189 -0.614989 1.009887
C -5.545741 0.254841 0.728212
C -3.560764 -2.818901 -2.117538
C -4.955224 0.913622 1.851016
C 5.931504 0.130266 -0.068961
C 6.244759 -1.286477 2.043364
C -7.045015 0.085162 0.620005
H -0.786546 -0.907183 -2.142528
H 2.138920 -1.157234 2.335823
H 0.435178 -0.765534 2.001573
H 0.598550 1.454822 -2.200882
H -4.328358 -0.831750 -2.569555
H -2.733303 -1.176111 -3.314465
H -3.056776 1.545411 2.748667
H 5.444026 1.305239 -1.857897
H 0.378538 -2.740931 0.330908
H 2.091262 -3.087458 0.743780
H 0.814147 -3.272460 1.981539
H -2.600411 -3.330459 -1.927075
H -4.213878 -2.951285 -1.238777
H -4.044420 -3.307323 -2.982575
H -5.597778 1.302114 2.646873
H 7.018872 0.221031 -0.152765
H 5.621614 -1.817276 2.779081
H 6.934254 -2.010399 1.570183
H 6.868022 -0.543975 2.576022
H -7.445032 -0.476682 1.484495
H -7.554613 1.066688 0.607837
H -7.298491 -0.456396 -0.303840


