%chk=000040566.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040566

0 1
 O  -0.1977000      -2.660600       1.436200    
 O   0.1820000      -2.711000      -1.393100    
 O   -2.245900      -2.728700     -0.5413000    
 O    2.287400      -2.723000      0.5312000    
 N   -2.174300      0.9210000      7.9999998E-02
 N    2.175900      0.9252000     -9.3599997E-02
 C  -0.4791000      -1.538100      0.6026000    
 C   0.4700000      -1.549200     -0.6191000    
 C   -1.976300      -1.549500      0.2205000    
 C    1.963300      -1.552700     -0.2173000    
 C   -2.418300     -0.3375000     -0.6114000    
 C    2.412000     -0.3346000      0.6053000    
 C   -3.242900       1.197700       1.042500    
 C   -2.057800       2.022900     -0.8776000    
 C    3.260800       1.200500      -1.036300    
 C    2.040400       2.025200      0.8618000    
 C   -2.965600       2.474000       1.818800    
 C   -3.352000       2.219800      -1.648500    
 C    2.998200       2.476500      -1.818100    
 C    3.319800       2.222300       1.657300    
 H  -0.2846000     -0.6456000       1.206100    
 H   0.2757000     -0.6786000      -1.253300    
 H   -2.576300      -1.638100       1.133200    
 H    2.557100      -1.625900      -1.136100    
 H   -3.477000     -0.4636000     -0.8784000    
 H   -1.889000     -0.3778000      -1.572600    
 H    3.469700     -0.4614000      0.8763000    
 H    1.879700     -0.3673000       1.565100    
 H   -4.246600       1.224100      0.6035000    
 H   -3.266700      0.3892000       1.783300    
 H   -1.747000       2.956000     -0.3960000    
 H   -1.247400       1.801900      -1.584800    
 H    4.256600       1.227800     -0.5796000    
 H    3.297800      0.3910000      -1.775400    
 H    1.738700       2.958700      0.3754000    
 H    1.216800       1.803500       1.553400    
 H  -0.7774000      -2.601900       2.214600    
 H   0.7654000      -2.697200      -2.170900    
 H   -3.200900      -2.749600     -0.7234000    
 H    3.247500      -2.720800      0.6852000    
 H   -3.638500       2.531000       2.681900    
 H   -3.141700       3.375200       1.223900    
 H   -1.940400       2.498500       2.204400    
 H   -3.186900       2.986500      -2.415200    
 H   -4.172800       2.590400      -1.028100    
 H   -3.684900       1.325800      -2.183100    
 H    3.687200       2.533300      -2.668400    
 H    3.162800       3.378000      -1.220300    
 H    1.980400       2.500900      -2.222900    
 H    3.139800       2.988600       2.421100    
 H    4.151800       2.593600       1.052500    
 H    3.643400       1.328300       2.197700    


%chk=000040566-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040566

0 1
O 0.011058 -1.283760 1.833528
O 0.000149 -1.301665 -1.815104
O -1.676931 -2.628063 -0.262009
O 1.696689 -2.615260 0.294580
N -3.123348 0.890181 -0.111185
N 3.119010 0.911239 0.108288
C -0.510575 -0.659947 0.609488
C 0.518311 -0.663091 -0.597200
C -1.896180 -1.257236 0.279317
C 1.907449 -1.248969 -0.261353
C -2.737524 -0.407572 -0.709453
C 2.744204 -0.384340 0.718265
C -4.350215 0.809924 0.719528
C -3.055148 2.039186 -1.048873
C 4.342328 0.832499 -0.727881
C 3.048917 2.066847 1.037793
C -4.536952 2.018894 1.655160
C -4.114389 2.062731 -2.185016
C 4.515188 2.034349 -1.675350
C 4.115363 2.106859 2.166597
H -0.719272 0.385744 0.896613
H 0.721345 0.380902 -0.894621
H -2.421442 -1.344025 1.251845
H 2.432567 -1.343058 -1.233268
H -3.629651 -1.010327 -1.019671
H -2.132199 -0.240749 -1.617346
H 3.641295 -0.977808 1.032086
H 2.138886 -0.214169 1.625564
H -5.270424 0.675626 0.095452
H -4.264780 -0.101318 1.341578
H -3.129941 2.972394 -0.460106
H -2.043678 2.036001 -1.497375
H 5.266587 0.710884 -0.107275
H 4.260741 -0.084933 -1.341217
H 3.113224 2.996025 0.441392
H 2.040462 2.060087 1.492980
H 0.502577 -2.110619 1.551359
H -0.486577 -2.128482 -1.524500
H -2.538554 -3.110117 -0.314251
H 2.561086 -3.091874 0.350754
H -5.400296 1.851672 2.325129
H -4.727250 2.952565 1.095884
H -3.634095 2.164127 2.274303
H -3.948408 2.937479 -2.841129
H -5.142738 2.133167 -1.785579
H -4.049571 1.153669 -2.810927
H 5.377105 1.868159 -2.347422
H 4.700079 2.974594 -1.125346
H 3.608605 2.166521 -2.291936
H 3.947338 2.985756 2.816624
H 5.140564 2.181450 1.759919
H 4.061211 1.202550 2.800369


