%chk=000100051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100051

0 1
 O    1.890700     -0.2017000      9.0700001E-02
 O    3.524300       1.178300     -0.7607000    
 O   -1.998000      0.4955000     -0.3926000    
 O    2.486100      -2.188400      -1.895900    
 O    3.635900     -0.7071000       2.314900    
 O  -0.6056000      0.6633000      -2.211400    
 N  -1.4800000E-02   1.519300     -0.1372000    
 N    2.902800      -1.184100      0.1600000    
 C    1.667200       3.279500      0.3565000    
 C    1.281700       2.045600     -0.4893000    
 C    1.922600       2.902400       1.819100    
 C   0.6273000       4.402200      0.2776000    
 C    2.366300      0.9742000     -0.4091000    
 C    4.270800      -2.928200     -0.4375000    
 C    4.652400      -2.436600      0.9603000    
 C    3.101100      -2.074600     -0.8469000    
 C    3.677900      -1.331300       1.266000    
 C  -0.8484000      0.8731000      -1.027500    
 C   -2.961000     -0.1904000      -1.200700    
 C   -4.154200     -0.5314000     -0.3572000    
 C   -4.200500      -1.746400      0.3267000    
 C   -5.216900      0.3665000     -0.2565000    
 C   -5.309500      -2.063500       1.111000    
 C   -6.325900      4.9300000E-02  0.5280000    
 C   -6.372200      -1.165700       1.211700    
 H    2.610100       3.678600     -4.1299999E-02
 H    1.230000       2.338600      -1.546100    
 H    2.223700       3.787000       2.391700    
 H    2.730300       2.170600       1.915900    
 H    1.029300       2.491100       2.299400    
 H   0.9844000       5.295500      0.8013000    
 H   0.4372000       4.679500     -0.7645000    
 H  -0.3243000       4.107500      0.7321000    
 H  -0.3212000       1.575100      0.8290000    
 H    5.094000      -2.792500      -1.145100    
 H    3.973800      -3.980800     -0.4207000    
 H    4.553100      -3.234200       1.702300    
 H    5.673900      -2.045500      0.9790000    
 H   -3.261400      0.4481000      -2.040700    
 H   -2.514900      -1.104400      -1.612400    
 H   -3.377800      -2.453100      0.2580000    
 H   -5.191600       1.317100     -0.7827000    
 H   -5.345300      -3.009200       1.643900    
 H   -7.153200      0.7486000      0.6071000    
 H   -7.235600      -1.412500       1.822700    


%chk=000100051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100051

0 1
O 1.629670 -0.262268 0.683801
O 2.943239 0.172854 -1.233663
O -2.335279 1.635597 0.662135
O 1.345264 -3.033427 -0.172228
O 4.152700 0.032940 2.048432
O -1.661372 1.842245 -1.595297
N -0.121657 1.637029 0.166717
N 2.547399 -1.317175 0.947443
C 1.918956 3.001567 -0.502604
C 1.061164 1.689788 -0.686166
C 2.443302 3.155038 0.943883
C 1.087044 4.226496 -0.940325
C 1.982676 0.485110 -0.525204
C 3.528750 -3.451804 0.998701
C 4.463860 -2.439386 1.715938
C 2.324863 -2.649178 0.491088
C 3.770069 -1.078035 1.628884
C -1.389876 1.709394 -0.371509
C -3.774608 1.615742 0.221904
C -4.277491 0.202696 0.024861
C -4.079782 -0.462639 -1.213418
C -4.951292 -0.473100 1.073360
C -4.543466 -1.784007 -1.393671
C -5.418210 -1.794200 0.892903
C -5.214125 -2.452364 -0.342189
H 2.784123 2.891134 -1.186413
H 0.696465 1.671840 -1.731614
H 3.081463 4.053909 1.016539
H 3.045325 2.289089 1.275211
H 1.606368 3.290950 1.655174
H 1.693738 5.146142 -0.855314
H 0.740982 4.134958 -1.985625
H 0.196754 4.346848 -0.296854
H -0.030303 1.455790 1.166556
H 4.008995 -3.942900 0.135915
H 3.164570 -4.249512 1.668349
H 4.635327 -2.686319 2.777371
H 5.453308 -2.356826 1.235258
H -4.291504 2.125099 1.050336
H -3.847512 2.209603 -0.705410
H -3.551719 0.057586 -2.020701
H -5.107376 0.036119 2.032605
H -4.382841 -2.292168 -2.350939
H -5.938955 -2.307768 1.708876
H -5.574405 -3.477586 -0.484195


