%chk=000087854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087854

0 1
 O    3.020500      -1.979000      0.4160000    
 O   -3.021000       1.979200      0.4156000    
 O    5.708900       1.574600      0.6213000    
 O   -5.708800      -1.574800      0.6216000    
 N    3.657800     -4.6999999E-03 -0.6197000    
 N   -3.657500      4.3000001E-03 -0.6194000    
 C    1.328400     -0.4251000     -5.4099999E-02
 C   -1.328500      0.4255000     -5.3199999E-02
 C   0.2960000      -1.362900     -5.3800002E-02
 C   -1.032600     -0.9377000     -5.3399999E-02
 C    1.032500      0.9380000     -5.3900000E-02
 C  -0.2960000       1.363300     -5.3300001E-02
 C    2.713300     -0.8687000     -5.3300001E-02
 C   -2.713200      0.8688000     -5.2999999E-02
 C    5.066700     -0.3125000     -0.7148000    
 C   -5.066500      0.3118000     -0.7151000    
 C    5.825100      0.1619000      0.5114000    
 C   -5.825100     -0.1621000      0.5109000    
 H   0.5056000      -2.429400     -5.1199999E-02
 H   -1.804100      -1.701200     -2.1700000E-02
 H    1.804200       1.701400     -2.2399999E-02
 H  -0.5056000       2.429900     -5.0600000E-02
 H    5.436200      0.1966000      -1.611100    
 H    5.193600      -1.391700     -0.8457000    
 H   -5.435400     -0.1928000      -1.614200    
 H   -5.192200       1.391600     -0.8435000    
 H    3.360000      0.8670000      -1.044300    
 H   -3.360500     -0.8690000      -1.041200    
 H    5.436400     -0.2901000       1.429600    
 H    6.886800     -8.6300001E-02  0.4249000    
 H   -5.422100      0.2829000       1.425900    
 H   -6.886200      9.5200002E-02  0.4385000    
 H    4.762100       1.784000      0.6951000    
 H   -6.088300      -1.964600     -0.1843000    


%chk=000087854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087854

0 1
O 3.096412 -1.823517 0.530697
O -3.046847 2.308694 -0.321332
O 5.984107 1.417304 0.797623
O -5.706322 -1.951048 -0.002649
N 3.763477 0.031517 -0.691859
N -3.783924 0.107402 -0.281017
C 1.372947 -0.237006 -0.128587
C -1.363612 0.557060 -0.204923
C 0.346193 -1.153600 0.210982
C -1.006140 -0.764968 0.171187
C 1.016348 1.092780 -0.478699
C -0.335522 1.482912 -0.513642
C 2.794107 -0.739268 -0.063342
C -2.785654 1.062512 -0.269905
C 5.176539 -0.395555 -0.715877
C -5.206229 0.460693 -0.312354
C 5.919342 -0.035829 0.586595
C -6.006961 -0.584742 0.479031
H 0.640584 -2.163249 0.514645
H -1.768826 -1.494846 0.466844
H 1.782977 1.846633 -0.695874
H -0.629257 2.507310 -0.763885
H 5.668388 0.103803 -1.568819
H 5.216248 -1.491188 -0.862915
H -5.574201 0.511399 -1.359921
H -5.320227 1.470496 0.120261
H 3.482959 0.819993 -1.274579
H -3.575481 -0.893228 -0.318129
H 5.441458 -0.550377 1.442925
H 6.969803 -0.362428 0.513459
H -5.693788 -0.593482 1.535102
H -7.092187 -0.367384 0.422570
H 5.068683 1.741737 0.993899
H -6.154892 -2.097131 -0.873912


