%chk=000099859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099859

0 1
 O   0.7350000      -2.569100      0.9183000    
 O    1.439900      -2.290100      -1.262200    
 O   -3.765500      -1.101700      -1.469300    
 N   -3.851600     -6.7199998E-02 -0.5375000    
 C    1.207800       3.036300     -0.5871000    
 C   7.4800000E-02   2.635000      0.3609000    
 C    2.597400       2.930000      4.8900001E-02
 C   -1.286500       2.750300     -0.3299000    
 C    3.031300       1.518000      0.4608000    
 C   -2.471400       2.469300      0.6006000    
 C    3.098900      0.5394000     -0.7155000    
 C   -2.531000       1.051700       1.168000    
 C    3.723400     -0.8116000     -0.3434000    
 C   -2.722200      7.4999998E-03  8.9599997E-02
 C    2.873200      -1.665400      0.5980000    
 C   -1.593800     -0.9548000     -0.2081000    
 C   -1.651500      -2.142700      0.7500000    
 C  -0.5229000      -3.140900      0.5132000    
 C    1.614700      -2.194000     -5.5300001E-02
 H    1.163900       2.433800      -1.501200    
 H    1.055600       4.077300     -0.8992000    
 H   9.4999999E-02   3.279400       1.247800    
 H   0.2267000       1.608100      0.7027000    
 H    2.635100       3.578100      0.9333000    
 H    3.333300       3.332300     -0.6587000    
 H   -1.321700       2.076500      -1.194100    
 H   -1.400700       3.767600     -0.7249000    
 H    2.360500       1.137200       1.237200    
 H    4.024400       1.591800      0.9213000    
 H   -3.395800       2.675800      4.6900000E-02
 H   -2.445000       3.179900       1.435800    
 H    3.708200      0.9861000      -1.511100    
 H    2.100100      0.3807000      -1.135100    
 H   -3.385500      0.9766000       1.851600    
 H   -1.637800      0.8218000       1.756400    
 H    4.701100     -0.6375000      0.1225000    
 H    3.915600      -1.370800      -1.267500    
 H    2.605000      -1.093500       1.491800    
 H    3.457200      -2.536100      0.9177000    
 H   -1.573000      -1.282200      -1.251600    
 H  -0.6552000     -0.4102000     -5.9200000E-02
 H   -1.604200      -1.778200       1.783600    
 H   -2.612500      -2.658000      0.6350000    
 H  -0.6812000      -4.022700       1.143100    
 H  -0.5044000      -3.485400     -0.5268000    
 H   -4.647900      -1.072900      -1.876100    


%chk=000099859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099859

0 1
O 0.728294 -2.480845 0.780800
O 1.693635 -2.358600 -1.347064
O -4.242818 -1.295080 -1.087995
N -4.139627 -0.162565 -0.134478
C 1.254920 2.983436 -0.632215
C 0.079807 2.635047 0.311215
C 2.650449 2.940893 0.040622
C -1.290229 2.692458 -0.404972
C 3.120623 1.537666 0.503165
C -2.515366 2.543863 0.529211
C 3.340244 0.540238 -0.659728
C -2.681247 1.160790 1.229342
C 3.931503 -0.821610 -0.220506
C -2.892429 0.009386 0.253409
C 2.984234 -1.673436 0.654215
C -1.730111 -0.863176 -0.182400
C -1.719003 -2.214405 0.587009
C -0.519434 -3.093940 0.224333
C 1.771334 -2.186137 -0.109185
H 1.236166 2.303085 -1.507720
H 1.087450 4.003007 -1.036880
H 0.076669 3.345136 1.165476
H 0.235684 1.628155 0.746891
H 2.643375 3.624991 0.914691
H 3.402132 3.347006 -0.667598
H -1.326147 1.919063 -1.199293
H -1.371448 3.668356 -0.926736
H 2.392422 1.125246 1.229880
H 4.075883 1.649929 1.057277
H -3.440273 2.735018 -0.048768
H -2.461992 3.322246 1.317894
H 4.031442 1.003397 -1.393297
H 2.392480 0.361901 -1.203751
H -3.555403 1.225326 1.902780
H -1.796127 0.939252 1.855325
H 4.867979 -0.648104 0.346606
H 4.197432 -1.408605 -1.119514
H 2.638272 -1.129574 1.550000
H 3.523191 -2.567221 1.029733
H -1.814944 -1.079554 -1.264148
H -0.779223 -0.331082 -0.005723
H -1.717145 -2.034196 1.679011
H -2.644445 -2.769316 0.343890
H -0.593632 -4.086613 0.701471
H -0.399864 -3.207846 -0.867985
H -5.207910 -1.277487 -1.313093


