%chk=000063542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063542

0 1
 O   -6.539400      -2.229400      0.2363000    
 O   -3.911900      -2.982000     -0.2498000    
 O    3.405900      0.5483000       2.058300    
 N   -2.855800       2.973500     -0.3000000    
 N    3.737300      0.2087000     -0.2490000    
 N    1.894200      0.4893000      -1.727300    
 C   -4.888900       1.034200      0.1854000    
 C   -3.556500      0.6485000     -1.4200000E-02
 C   -5.201300       2.494300      0.3287000    
 C   -2.543600       1.740000     -6.3100003E-02
 C   -4.262100       3.287900     -0.5703000    
 C   -1.114900       1.440700      0.1930000    
 C    1.572400      0.8787000      0.6639000    
 C    1.077500      0.8095000     -0.6383000    
 C   -5.885900      5.9099998E-02  0.2795000    
 C   -3.231200     -0.7015000     -0.1726000    
 C  -0.2741000       1.093900     -0.8655000    
 C  -0.6105000       1.507700       1.489500    
 C   -5.558100      -1.289000      0.1387000    
 C   -4.235600      -1.667200     -9.3400002E-02
 C    2.994100      0.5512000      0.9005000    
 C   0.7336000       1.226200       1.729600    
 C    3.147800      0.2286000      -1.515400    
 C    5.100400     -0.1998000     -4.7499999E-02
 C    5.413300      -1.538400      0.1593000    
 C    3.990700     -5.1000002E-03  -2.752400    
 C    6.099100      0.7675000     -6.3600004E-02
 C    6.742400      -1.914900      0.3529000    
 C    4.354800      -2.593100      0.1803000    
 C    7.428100      0.3908000      0.1300000    
 C    7.749800     -0.9502000      0.3383000    
 C   -7.204000      -2.599700     -0.9699000    
 C   -3.567500      -3.708200      0.9280000    
 H   -6.238700       2.702500      4.4399999E-02
 H   -5.069600       2.784200       1.377900    
 H   -4.475100       3.099200      -1.630000    
 H   -4.420000       4.358100     -0.3978000    
 H   -6.918200      0.3497000      0.4577000    
 H   -2.208700      -1.020200     -0.3515000    
 H  -0.6700000       1.047800      -1.878300    
 H   -1.256400       1.776600       2.321300    
 H    1.106100       1.280100       2.748800    
 H    4.455700     -0.9934000      -2.708100    
 H    4.775600      0.7541000      -2.811300    
 H    3.377300      5.2299999E-02  -3.656300    
 H    5.858900       1.814900     -0.2253000    
 H    7.011000      -2.955200      0.5164000    
 H    3.635200      -2.400900      0.9826000    
 H    3.827400      -2.632100     -0.7779000    
 H    4.776900      -3.588500      0.3571000    
 H    8.212500       1.141900      0.1184000    
 H    8.784700      -1.243200      0.4889000    
 H   -6.493800      -3.022400      -1.687500    
 H   -7.712100      -1.735100      -1.408600    
 H   -7.952000      -3.360000     -0.7293000    
 H   -4.403600      -3.717000       1.634300    
 H   -2.680700      -3.273900       1.400600    
 H   -3.341400      -4.738800      0.6413000    


%chk=000063542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063542

0 1
O -7.166138 -1.714121 0.750576
O -4.550294 -3.035243 0.534899
O 3.334010 -0.850878 1.769147
N -2.612160 2.557843 -1.084747
N 3.929663 0.199484 -0.250506
N 2.298696 1.219148 -1.708548
C -4.940949 1.167318 -0.016352
C -3.661410 0.536566 -0.116952
C -5.000217 2.664937 -0.261582
C -2.486686 1.391423 -0.478071
C -3.992331 3.032893 -1.374407
C -1.088025 0.944026 -0.168799
C 1.585042 0.190071 0.435849
C 1.293670 0.892480 -0.777307
C -6.079814 0.391522 0.270000
C -3.567950 -0.866439 0.068180
C -0.045330 1.265680 -1.060942
C -0.782223 0.246439 1.042600
C -5.984352 -1.007173 0.448744
C -4.708127 -1.637315 0.366700
C 2.969460 -0.207470 0.741919
C 0.537435 -0.120585 1.340232
C 3.549476 0.878709 -1.435436
C 5.329608 -0.130220 0.002070
C 5.802154 -1.444954 -0.256354
C 4.629994 1.215782 -2.434663
C 6.179563 0.874247 0.510985
C 7.172712 -1.706745 -0.006650
C 4.872333 -2.535578 -0.747554
C 7.540443 0.590389 0.755031
C 8.037459 -0.705678 0.489855
C -7.523663 -2.797564 -0.198095
C -4.824068 -3.515788 1.909961
H -6.020971 2.986634 -0.535190
H -4.720652 3.210231 0.664173
H -4.316410 2.588903 -2.341363
H -3.943407 4.126205 -1.516385
H -7.071698 0.850689 0.339033
H -2.610717 -1.387880 -0.023264
H -0.260968 1.818339 -1.978724
H -1.583011 0.023504 1.754613
H 0.792437 -0.644340 2.267173
H 5.212308 0.322567 -2.724081
H 5.349892 1.948258 -2.028255
H 4.144445 1.644540 -3.322682
H 5.766893 1.865918 0.726474
H 7.560751 -2.714079 -0.198033
H 4.158166 -2.812205 0.050275
H 4.274725 -2.212371 -1.620040
H 5.435918 -3.439642 -1.032528
H 8.200113 1.368237 1.153599
H 9.091782 -0.938502 0.675786
H -6.699210 -3.524415 -0.301422
H -7.767505 -2.363387 -1.185861
H -8.416116 -3.276241 0.232155
H -5.854408 -3.263902 2.221594
H -4.099916 -3.072137 2.619207
H -4.689318 -4.607332 1.871661


