%chk=000081977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081977

0 1
 O   -3.663300       1.488700     -5.9300002E-02
 O    3.667600       1.499100     -8.9999998E-04
 N   -9.218200      -2.314600      0.3033000    
 N    9.214100      -2.325100      0.2531000    
 C  -2.4000001E-03  0.9131000     -0.6798000    
 C   -1.269000       1.510500     -6.9600001E-02
 C    1.256100       1.498000     -3.1900000E-02
 C   -2.525600      0.9039000     -0.6776000    
 C    2.533400      0.9405000     -0.6481000    
 C   -4.792700      0.7154000      1.5500000E-02
 C    4.796000      0.7221000      5.1300000E-02
 C   -5.037300     -0.2403000     -0.9640000    
 C    5.045800     -0.1952000     -0.9628000    
 C   -5.681700      0.8948000       1.068900    
 C    5.677800      0.8595000       1.116800    
 C   -6.186400      -1.027500     -0.8889000    
 C    6.193400     -0.9864000     -0.9104000    
 C   -6.830900      0.1077000       1.144100    
 C    6.825600      6.8499997E-02   1.169100    
 C   -7.083200     -0.8534000      0.1651000    
 C    7.083200     -0.8544000      0.1555000    
 C   -8.260600      -1.659300      0.2413000    
 C    8.258300      -1.665500      0.2093000    
 H  -6.6999998E-03 -0.1759000     -0.5492000    
 H   1.3800000E-02   1.110300      -1.758500    
 H   -1.283100       2.598200     -0.2119000    
 H   -1.278500       1.350100       1.015900    
 H    1.254700       1.293200       1.046100    
 H    1.257800       2.591000     -0.1284000    
 H   -2.557200       1.107100      -1.754400    
 H   -2.487000     -0.1807000     -0.5119000    
 H    2.571600       1.191600      -1.714500    
 H    2.501200     -0.1512000     -0.5354000    
 H   -4.380100     -0.3878000      -1.815500    
 H    4.394600     -0.3083000      -1.824100    
 H   -5.488700       1.642100       1.833300    
 H    5.480400       1.576900       1.908200    
 H   -6.372900      -1.768300      -1.662900    
 H    6.384200      -1.697100      -1.711100    
 H   -7.520500      0.2552000       1.971800    
 H    7.509700      0.1828000       2.006700    


%chk=000081977-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081977

0 1
O -3.695929 0.877444 0.564538
O 3.695171 0.883385 0.568896
N -10.182491 -0.643396 -1.074317
N 10.181643 -0.643604 -1.062902
C 0.000695 0.239947 -0.110801
C -1.281522 0.832267 0.517148
C 1.281205 0.834716 0.518326
C -2.545830 0.240580 -0.108919
C 2.547102 0.245318 -0.106557
C -4.982627 0.509391 0.168555
C 4.981881 0.514240 0.174742
C -5.272391 -0.441592 -0.845449
C 5.271085 -0.438939 -0.837162
C -6.039461 1.159187 0.858768
C 6.038797 1.164706 0.864218
C -6.613499 -0.734086 -1.161342
C 6.612099 -0.732885 -1.152103
C -7.372636 0.863946 0.540188
C 7.371867 0.868140 0.546438
C -7.677404 -0.088573 -0.476615
C 7.676276 -0.086568 -0.468464
C -9.044422 -0.390337 -0.803776
C 9.043168 -0.390118 -0.794492
H 0.001730 -0.862581 0.017967
H 0.001086 0.430903 -1.204380
H -1.296015 1.930808 0.385220
H -1.295072 0.638016 1.606338
H 1.294101 0.640436 1.607528
H 1.293589 1.933322 0.386530
H -2.589320 0.453986 -1.197298
H -2.590366 -0.857943 0.043503
H 2.591722 0.459247 -1.194802
H 2.593707 -0.853215 0.045371
H -4.473695 -0.954609 -1.387443
H 4.471892 -0.952725 -1.377898
H -5.789922 1.886698 1.636382
H 5.789414 1.893816 1.640381
H -6.841114 -1.466431 -1.942278
H 6.839390 -1.467142 -1.931335
H -8.186935 1.364449 1.072961
H 8.186332 1.369097 1.078535


