%chk=000093514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093514

0 1
 O    7.241800      0.7402000      0.8613000    
 O    5.711500       1.739200      -1.012600    
 O   -5.590600       2.209000      2.1400001E-02
 O   -6.540200     -0.3893000      0.2826000    
 N    3.941500      0.3693000     -0.3879000    
 N    1.109200     -0.2085000     -0.2323000    
 N   -1.114800      0.5914000     -0.1485000    
 N  -0.6488000      -1.768000      1.9000000E-03
 N   -2.397400      -3.324900      0.2357000    
 C    3.434100     -0.8019000      0.3304000    
 C    2.953200       1.167500      -1.108700    
 C    2.092700      -1.294300     -0.2131000    
 C    1.595500       1.162700     -0.4094000    
 C    5.282800      0.7533000     -0.4083000    
 C  -0.2543000     -0.4707000     -0.1231000    
 C    6.238600     -0.1218000      0.3650000    
 C   -2.432600      0.3457000     -4.3099999E-02
 C    6.830300      -1.188500     -0.5263000    
 C   -2.926200     -0.9624000      8.9599997E-02
 C   -1.974600      -1.978500      0.1050000    
 C   -3.354800       1.389400     -6.2700003E-02
 C   -4.306200      -1.207300      0.1989000    
 C   -4.728600       1.154200      4.5499999E-02
 C   -5.205100     -0.1455000      0.1765000    
 C    8.219900      3.4600001E-02   1.619000    
 C   -5.917400       2.807600       1.273900    
 C   -7.259500     -0.6026000     -0.9309000    
 H    3.330600     -0.5078000       1.382000    
 H    4.151500      -1.624700      0.2796000    
 H    2.868500      0.7357000      -2.113600    
 H    3.312000       2.195700      -1.224700    
 H    2.215100      -1.682100      -1.231700    
 H    1.762900      -2.124700      0.4223000    
 H    1.671900       1.644500      0.5728000    
 H   0.9052000       1.753800      -1.022600    
 H    5.737800     -0.5661000       1.229500    
 H    7.360700      -1.950400      5.4400001E-02
 H    7.550900     -0.7603000      -1.232700    
 H    6.060600      -1.704400      -1.109700    
 H   -2.999700       2.413800     -0.1655000    
 H   -4.706900      -2.212700      0.2946000    
 H   -1.660600      -4.020500      0.2125000    
 H   -3.186900      -3.526400      0.8362000    
 H    8.899500     -0.5183000      0.9644000    
 H    7.755900     -0.6334000       2.351700    
 H    8.816600      0.7733000       2.162200    
 H   -5.019600       3.213800       1.750600    
 H   -6.397800       2.079700       1.935300    
 H   -6.616900       3.627500       1.089600    
 H   -7.195400      0.2788000      -1.576800    
 H   -8.309400     -0.7770000     -0.6804000    
 H   -6.873500      -1.482400      -1.455500    


%chk=000093514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093514

0 1
O 6.067741 -0.044278 1.223656
O 5.732380 1.184644 -1.954157
O -5.413869 2.420724 -0.042238
O -6.489339 -0.197984 0.653048
N 4.042982 0.036576 -0.851964
N 1.195451 -0.371039 -0.418216
N -0.957130 0.553743 -0.283603
N -0.548293 -1.815388 0.218424
N -2.230613 -3.281859 0.854442
C 3.534471 -0.927362 0.155563
C 3.017799 0.764390 -1.645924
C 2.162216 -1.476052 -0.273732
C 1.722093 0.945483 -0.842732
C 5.375205 0.351355 -1.060584
C -0.152055 -0.536279 -0.156532
C 6.420244 -0.372205 -0.175660
C -2.304293 0.347586 -0.038592
C 7.845397 0.053244 -0.548626
C -2.839004 -0.940542 0.345405
C -1.860435 -2.010148 0.471666
C -3.204252 1.453820 -0.144564
C -4.239580 -1.090666 0.554052
C -4.570029 1.296657 0.097539
C -5.105618 -0.002515 0.420812
C 6.796030 -0.839534 2.212869
C -6.123467 2.823536 1.195898
C -7.342009 0.003737 -0.543294
H 3.459613 -0.443166 1.146560
H 4.240261 -1.770188 0.257115
H 2.809503 0.217729 -2.587512
H 3.442299 1.742652 -1.926960
H 2.259511 -2.041099 -1.224950
H 1.778158 -2.178505 0.483137
H 1.903779 1.593087 0.039274
H 0.955723 1.448549 -1.455235
H 6.311570 -1.475987 -0.317734
H 8.595577 -0.513674 0.030869
H 7.977147 1.132155 -0.366834
H 8.021637 -0.124422 -1.622806
H -2.806684 2.437817 -0.405320
H -4.695466 -2.055171 0.805829
H -1.501674 -3.989333 0.917315
H -3.186751 -3.518137 1.098508
H 7.874580 -0.587577 2.237910
H 6.685236 -1.929265 2.018578
H 6.346183 -0.592899 3.187833
H -5.391589 3.151491 1.957961
H -6.732907 1.991343 1.591170
H -6.763576 3.669277 0.902552
H -7.215073 1.023108 -0.950041
H -8.375583 -0.148073 -0.196365
H -7.090499 -0.744053 -1.319507


