%chk=000099864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099864

0 1
 O    5.632000      0.4451000       1.051600    
 O  -0.3321000       2.765900     -0.3820000    
 O   -3.048400       2.576500      0.1027000    
 N    2.034800      0.3391000      0.2630000    
 C    3.467000      0.4160000     -2.5699999E-02
 C    3.897300     -0.6908000      -1.006700    
 C    1.256100      0.4736000     -0.9580000    
 C  -0.2237000      0.3968000     -0.6909000    
 C    4.236400      0.3174000       1.295700    
 C  -0.8461000     -0.8444000     -0.7272000    
 C    3.645900      -2.101000     -0.4864000    
 C  -0.9476000       1.549300     -0.4147000    
 C   -2.216300     -0.9344000     -0.4828000    
 C   -2.318000       1.459300     -0.1703000    
 C   -2.952300      0.2174000     -0.2043000    
 C   -2.894200      -2.262000     -0.5206000    
 C   -2.911300      -2.954200      0.8178000    
 C   -3.164600       2.955900       1.472500    
 C   -2.314800      -4.125500       1.066400    
 H    3.707000       1.383600     -0.4866000    
 H    3.434000     -0.5696000      -1.991200    
 H    4.971100     -0.5927000      -1.211300    
 H    1.783600       1.082000      0.9151000    
 H    1.507100       1.390600      -1.505700    
 H    1.463400     -0.3403000      -1.661000    
 H    4.049800     -0.6126000       1.842600    
 H    3.951800       1.142600       1.958300    
 H  -0.2724000      -1.743200     -0.9401000    
 H    2.591100      -2.271100     -0.2517000    
 H    3.932000      -2.829600      -1.252600    
 H    4.242500      -2.322000      0.4029000    
 H   -4.020800      0.1536000     -1.2500000E-02
 H   -2.418300      -2.896400      -1.280200    
 H   -3.930900      -2.140700     -0.8609000    
 H    5.956500     -0.4145000      0.7346000    
 H   -3.459200      -2.470500       1.623100    
 H   0.6195000       2.660700     -0.2254000    
 H   -3.766300       3.867400       1.525800    
 H   -3.667000       2.170800       2.046400    
 H   -2.178500       3.161800       1.900900    
 H   -2.372600      -4.573300       2.052400    
 H   -1.761500      -4.654000      0.2980000    


%chk=000099864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099864

0 1
O 5.381572 1.149584 1.276815
O -0.265193 2.539244 -0.414121
O -3.043338 2.615141 0.352850
N 1.935083 0.043609 0.225669
C 3.331356 0.474846 -0.004299
C 4.093944 -0.542142 -0.897553
C 1.059424 -0.012279 -0.969127
C -0.409625 0.069126 -0.585059
C 4.000003 0.666386 1.379123
C -1.202834 -1.097079 -0.497844
C 4.196725 -1.964123 -0.304161
C -0.998010 1.333802 -0.303287
C -2.565848 -1.035919 -0.120630
C -2.357869 1.413545 0.107086
C -3.120493 0.226940 0.188766
C -3.428291 -2.298946 -0.069596
C -2.745155 -3.482071 0.591715
C -2.409438 3.611832 1.241217
C -2.569941 -4.699773 0.019424
H 3.376692 1.463678 -0.533879
H 3.587572 -0.594728 -1.880631
H 5.101126 -0.130876 -1.111842
H 1.483222 0.541029 1.004232
H 1.323401 0.806125 -1.699226
H 1.235033 -0.953662 -1.522241
H 3.935055 -0.276650 1.958925
H 3.476197 1.459116 1.942945
H -0.744804 -2.068853 -0.715632
H 3.195409 -2.331440 -0.018971
H 4.635021 -2.665218 -1.037324
H 4.830891 -1.996378 0.601903
H -4.167282 0.325381 0.496712
H -3.732071 -2.588432 -1.095750
H -4.363001 -2.065261 0.479014
H 5.951365 0.422484 0.920968
H -2.376605 -3.307368 1.614228
H 0.567026 2.382378 -0.929184
H -3.146151 4.425826 1.319327
H -2.227837 3.173942 2.242263
H -1.463477 3.981298 0.814810
H -2.081043 -5.521746 0.554274
H -2.915810 -4.909767 -1.000912


