%chk=000089584.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089584

0 1
 O   -4.206400      0.4657000      -1.194300    
 N  -0.5283000     -0.7353000      2.2800000E-02
 C   -3.119300      0.2955000      0.9450000    
 C   -1.798500       1.006900       1.235700    
 C   -2.897900      -1.175800      0.5962000    
 C  -0.7248000      0.7106000      0.1853000    
 C   -1.768600      -1.386900     -0.4167000    
 C   0.5523000      -1.000500     -0.9272000    
 C   -3.863100       1.006200     -0.1482000    
 C    1.858900     -0.4085000     -0.4700000    
 C    2.191000      0.8859000     -0.8449000    
 C    2.712800      -1.165300      0.3203000    
 C    3.401400       1.434600     -0.4213000    
 C    3.923200     -0.6165000      0.7441000    
 C    4.267400      0.6834000      0.3733000    
 H   -3.764900      0.3582000       1.829800    
 H   -1.432500      0.6791000       2.218000    
 H   -1.949300       2.091300       1.302900    
 H   -3.818900      -1.637600      0.2203000    
 H   -2.639700      -1.713900       1.518500    
 H  -0.9902000       1.188300     -0.7668000    
 H   0.1684000       1.204700      0.5754000    
 H   -1.603300      -2.467200     -0.5131000    
 H   -2.071900      -1.022200      -1.406000    
 H   0.3073000     -0.6206000      -1.929200    
 H   0.6864000      -2.084100      -1.047100    
 H   -4.111400       2.063800      4.6399999E-02
 H    1.535100       1.478100      -1.477000    
 H    2.453700      -2.177800      0.6167000    
 H    3.671300       2.445400     -0.7130000    
 H    4.597500      -1.201000       1.363100    
 H    5.210200       1.110300      0.7026000    


%chk=000089584-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089584

0 1
O -4.695219 0.380205 -0.839330
N -0.549725 -0.558983 -0.147268
C -3.171298 0.001981 1.079524
C -1.890348 0.801715 1.446806
C -2.812298 -1.391771 0.516851
C -0.891978 0.820974 0.272821
C -1.757306 -1.295518 -0.604831
C 0.536919 -0.590826 -1.155955
C -4.073034 0.819862 0.156853
C 1.892471 -0.167811 -0.596693
C 2.789737 0.594553 -1.384248
C 2.295964 -0.573781 0.700921
C 4.070147 0.938683 -0.892298
C 3.571885 -0.227681 1.197264
C 4.465814 0.527832 0.401239
H -3.772946 -0.118325 2.010303
H -1.406460 0.323518 2.318098
H -2.148168 1.840544 1.734832
H -3.719003 -1.880932 0.116705
H -2.410323 -2.017027 1.335659
H -1.330052 1.404099 -0.582517
H 0.035878 1.336383 0.577495
H -1.449249 -2.313473 -0.908336
H -2.218492 -0.806904 -1.499596
H 0.296492 0.037539 -2.052056
H 0.607533 -1.636384 -1.519065
H -4.175487 1.897256 0.461260
H 2.485187 0.921834 -2.386606
H 1.589398 -1.149559 1.309244
H 4.753649 1.528868 -1.513480
H 3.871630 -0.547426 2.202144
H 5.456584 0.795356 0.785858


