%chk=000050771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050771

0 1
 O   0.4391000     -0.6292000     -0.1815000    
 O  -0.7190000      -2.458300      0.6011000    
 N    2.918600      0.7858000      0.2162000    
 N   -5.231000       2.015800     -0.2121000    
 C    1.665600      -1.368600     -0.1193000    
 C    2.774300     -0.4137000     -0.5996000    
 C    3.945700       1.663300     -0.3274000    
 C    1.524700      -2.586400      -1.037300    
 C    1.870200      -1.810900       1.332500    
 C    5.289000      0.9406000     -0.3729000    
 C    4.032700       2.928900      0.5199000    
 C  -0.6718000      -1.302500      0.2093000    
 C   -1.868800     -0.4312000      9.7400002E-02
 C   -3.092400      -1.009900     -0.1709000    
 C   -1.720800      0.9305000      0.2661000    
 C   -4.217100     -0.1913000     -0.2749000    
 C   -2.845500       1.749000      0.1621000    
 C   -4.093700       1.188200     -0.1085000    
 H    3.700700     -0.9972000     -0.6091000    
 H    2.550700     -0.1173000      -1.633100    
 H    3.675000       1.970200      -1.345800    
 H    2.026500       1.277700      0.2595000    
 H   0.9204000      -3.400700     -0.6303000    
 H    2.509900      -3.023400      -1.239200    
 H    1.081000      -2.303100      -1.998800    
 H    1.605600      -1.015000       2.038200    
 H    1.297800      -2.697800       1.617800    
 H    2.920500      -2.076800       1.502500    
 H    6.096900       1.654000     -0.5742000    
 H    5.521200      0.4504000      0.5796000    
 H    5.337100      0.1956000      -1.173300    
 H    3.073500       3.458300      0.5377000    
 H    4.781700       3.617200      0.1134000    
 H    4.312800       2.700800       1.554600    
 H   -3.200400      -2.082000     -0.3056000    
 H  -0.7634000       1.390800      0.4914000    
 H   -5.184200     -0.6402000     -0.4866000    
 H   -2.737100       2.822200      0.2971000    
 H   -5.141500       3.016200     -9.3900003E-02
 H   -6.135900       1.610100     -0.4105000    


%chk=000050771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050771

0 1
O 0.510206 -0.809751 -0.232104
O -0.859762 -2.591691 0.456053
N 2.893170 0.588021 0.203953
N -5.109893 2.285801 -0.155011
C 1.799373 -1.625388 -0.220490
C 2.837633 -0.579529 -0.694947
C 3.810410 1.681453 -0.207296
C 1.687799 -2.772001 -1.242597
C 2.089362 -2.119683 1.208817
C 5.285680 1.248339 -0.054053
C 3.511880 2.922542 0.658462
C -0.718676 -1.386777 0.113224
C -1.827428 -0.403581 0.025515
C -3.132680 -0.823171 0.402341
C -1.644364 0.934789 -0.417401
C -4.220409 0.058954 0.346217
C -2.725775 1.826654 -0.480241
C -4.035417 1.404544 -0.096727
H 3.825094 -1.078883 -0.711597
H 2.590093 -0.302326 -1.751061
H 3.646520 1.959369 -1.282221
H 1.938781 0.942688 0.363080
H 0.944299 -3.514789 -0.915505
H 2.668940 -3.272088 -1.343334
H 1.394141 -2.382693 -2.234085
H 2.176018 -1.262213 1.895542
H 1.300643 -2.806034 1.552922
H 3.056206 -2.656388 1.215870
H 5.962107 2.081213 -0.320753
H 5.479782 0.950635 0.992270
H 5.535059 0.393294 -0.708114
H 2.462779 3.254968 0.534702
H 4.169950 3.764235 0.378258
H 3.674058 2.686861 1.726020
H -3.266465 -1.856437 0.739854
H -0.645020 1.261912 -0.718272
H -5.220030 -0.281109 0.642934
H -2.569594 2.855580 -0.826854
H -4.982889 3.244134 -0.467688
H -6.042982 1.988644 0.115917


