%chk=000093668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093668

0 1
 O   -3.972700       2.013900      0.6647000    
 O  -0.4597000      -1.764500     -0.8515000    
 N   -2.765400       1.518300      -1.287600    
 N   0.6979000      -2.047500       1.173900    
 N   0.6708000       2.970000       3.266900    
 N    4.142600     -0.2359000      -3.243300    
 N    3.718600       2.349800      0.5754000    
 N    7.108500     -0.4245000     -0.3997000    
 C   -5.659700      -1.603700     -0.6837000    
 C   -5.397000      -2.938900      2.0800000E-02
 C   -5.985000     -0.4624000      0.2828000    
 C   -4.176700      -2.902200      0.9456000    
 C   -6.297200      0.8660000     -0.4180000    
 C   -2.912900      -2.490900      0.1849000    
 C   -5.175800       1.401200      -1.309700    
 C   -1.672800      -2.477500       1.077900    
 C   -3.909000       1.686300     -0.5170000    
 C  -0.4138000      -2.051400      0.3415000    
 C   -1.420600       1.695300     -0.8853000    
 C    2.027700      -1.706700      0.8314000    
 C   -1.128300       2.080000      0.4233000    
 C    2.333000      -1.306900     -0.4696000    
 C  -0.3868000       1.485200      -1.797800    
 C    3.033700      -1.770600       1.795500    
 C   0.1977000       2.254200      0.8193000    
 C    3.644100     -0.9709000     -0.8064000    
 C   0.9392000       1.659500      -1.402000    
 C    4.344900      -1.434700       1.458700    
 C    1.231500       2.044000     -9.3300000E-02
 C    4.650100      -1.035000      0.1577000    
 C   0.4591000       2.649700       2.171700    
 C    3.919600     -0.5648000      -2.152900    
 C    2.605800       2.213000      0.2762000    
 C    6.008500     -0.6976000     -0.1503000    
 H   -4.821800      -1.349600      -1.337900    
 H   -6.520300      -1.743500      -1.350900    
 H   -6.279400      -3.228000      0.6039000    
 H   -5.252800      -3.716700     -0.7391000    
 H   -5.157300     -0.3102000      0.9821000    
 H   -6.854200     -0.7441000      0.8900000    
 H   -4.349300      -2.226000       1.789700    
 H   -4.033600      -3.901800       1.373800    
 H   -6.548200       1.611500      0.3469000    
 H   -7.197600      0.7399000      -1.031800    
 H   -2.752000      -3.171400     -0.6605000    
 H   -3.026800      -1.484900     -0.2317000    
 H   -4.974200      0.7106000      -2.134300    
 H   -5.493200       2.349700      -1.759400    
 H   -1.503800      -3.478000       1.493600    
 H   -1.826500      -1.786700       1.915700    
 H   -2.888600       1.241600      -2.259000    
 H   0.5573000      -2.322100       2.143700    
 H   -1.886900       2.255800       1.173900    
 H    1.598400      -1.253300      -1.261200    
 H  -0.6008000       1.187000      -2.821000    
 H    2.809100      -2.080000       2.813000    
 H    1.729400       1.504800      -2.131600    
 H    5.116700      -1.489600       2.223000    


%chk=000093668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093668

0 1
O -4.159124 2.609660 -0.633617
O -0.367566 -0.939070 -0.467051
N -2.096475 1.506267 -0.439795
N 0.823221 -2.625197 0.635279
N -2.332458 6.641241 2.688447
N 3.753537 -0.605660 -4.209188
N 1.686974 5.791204 3.430956
N 6.719371 -3.230198 -2.896646
C -5.449859 -2.111342 -0.647931
C -5.246823 -2.871064 0.690271
C -5.723030 -0.591149 -0.493647
C -3.991598 -2.440319 1.495804
C -5.368541 0.230280 -1.760150
C -2.677886 -2.607383 0.701433
C -3.853454 0.526652 -1.890804
C -1.436915 -2.032529 1.442562
C -3.406123 1.634822 -0.926851
C -0.290137 -1.807244 0.464190
C -1.382157 2.434817 0.353867
C 2.014591 -2.692648 -0.135428
C -1.968111 3.610384 0.898443
C 2.219196 -1.923417 -1.308344
C -0.005759 2.162730 0.608926
C 3.028979 -3.587009 0.305299
C -1.188403 4.486575 1.690183
C 3.429976 -2.052157 -2.030597
C 0.763236 3.033961 1.393080
C 4.228262 -3.713095 -0.411012
C 0.191876 4.208186 1.952256
C 4.452374 -2.951489 -1.588448
C -1.808097 5.666727 2.237100
C 3.614386 -1.264380 -3.222046
C 0.996308 5.082131 2.759083
C 5.686048 -3.095141 -2.310552
H -4.566513 -2.267416 -1.299489
H -6.297637 -2.571608 -1.192916
H -6.141093 -2.725266 1.329065
H -5.186536 -3.958966 0.481643
H -5.154872 -0.177764 0.362974
H -6.790860 -0.440521 -0.242861
H -4.091148 -1.379817 1.802912
H -3.943327 -3.029653 2.433546
H -5.893109 1.202734 -1.737189
H -5.714789 -0.308559 -2.663575
H -2.513427 -3.676262 0.459491
H -2.764084 -2.074280 -0.261886
H -3.244764 -0.387739 -1.752648
H -3.638111 0.892245 -2.915551
H -1.144323 -2.685546 2.286928
H -1.704219 -1.045728 1.866182
H -1.583058 0.639080 -0.671639
H 0.777394 -3.269527 1.428730
H -3.017271 3.830506 0.696131
H 1.442785 -1.238278 -1.649851
H 0.453165 1.269294 0.174019
H 2.878989 -4.184668 1.212187
H 1.820152 2.819255 1.576003
H 5.004337 -4.401859 -0.066279


