%chk=000063883.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063883

0 1
 O    2.425500      -2.281900      2.5300000E-02
 O   -5.341500      -1.379000      0.8117000    
 N    1.871200     -0.3277000      -1.118600    
 N  -0.4413000     -0.6915000     -0.8289000    
 N   -2.938100      -1.228500     -0.6451000    
 N    3.220200       1.620300     -0.9222000    
 C   0.6860000     -0.9195000      -1.719500    
 C   -1.691300      -1.224100      -1.400400    
 C    3.838100     -0.4232000      0.2953000    
 C    2.654300      -1.112300     -0.2677000    
 C    4.070800      0.9136000     -5.5399999E-02
 C    2.197800      0.9875000      -1.395200    
 C   -3.612800     -8.8299997E-02 -0.2403000    
 C    4.704600      -1.098300       1.161200    
 C    5.188400       1.565500      0.4772000    
 C   -4.815600     -0.1636000      0.4890000    
 C   -3.104600       1.187300     -0.5524000    
 C    5.813900     -0.4340000       1.682900    
 C    6.055700      0.8955000       1.341900    
 C   -5.484100      0.9930000      0.8906000    
 C   -3.773300       2.343800     -0.1508000    
 C   -4.963000       2.246700      0.5706000    
 C   -6.560800      -1.381200       1.550700    
 H   0.5095000     -0.4414000      -2.689800    
 H   0.8514000      -1.990800      -1.880100    
 H   -1.881000     -0.7220000      -2.358500    
 H   -1.507500      -2.275200      -1.658800    
 H  -0.2640000      -1.156200      6.0899999E-02
 H   -3.336400      -2.125700     -0.3901000    
 H    1.498200       1.496400      -2.076600    
 H    4.533000      -2.134400       1.439100    
 H    5.391100       2.602700      0.2209000    
 H   -2.189900       1.318900      -1.122600    
 H    6.490200     -0.9531000       2.355800    
 H    6.920300       1.411500       1.749300    
 H   -6.411600      0.9969000       1.452700    
 H   -3.369600       3.320300     -0.4021000    
 H   -5.483100       3.148000      0.8821000    
 H   -7.380000     -0.9292000      0.9810000    
 H   -6.436100     -0.9242000       2.538400    
 H   -6.832900      -2.428500       1.719000    


%chk=000063883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063883

0 1
O 2.850213 -2.020425 -1.727476
O -5.351891 -0.546464 -0.577556
N 1.566814 -1.495534 0.173197
N -0.769975 -2.241437 0.019919
N -2.796391 -1.195392 -0.812444
N 2.114109 0.314775 1.677016
C 0.610678 -2.634883 -0.123091
C -1.466570 -1.649698 -1.149703
C 3.532136 -0.146497 -0.319463
C 2.669731 -1.279484 -0.711652
C 3.230975 0.607044 0.863395
C 1.353503 -0.697412 1.295243
C -3.076657 -0.004268 -0.126522
C 4.661017 0.191495 -1.111200
C 4.077378 1.689076 1.231625
C -4.451185 0.374462 0.011476
C -2.087643 0.845599 0.426670
C 5.486397 1.263856 -0.735311
C 5.191655 2.012222 0.440247
C -4.818528 1.560956 0.671226
C -2.456455 2.041374 1.087309
C -3.813349 2.403021 1.212907
C -6.777285 -0.232941 -0.505451
H 0.896196 -2.958690 -1.143439
H 0.839416 -3.459648 0.574770
H -0.837092 -0.814136 -1.521254
H -1.562287 -2.381322 -1.983376
H -1.363259 -2.816667 0.619794
H -3.606074 -1.685521 -1.191742
H 0.457273 -0.945106 1.872108
H 4.861682 -0.404601 -2.007544
H 3.828937 2.249681 2.137779
H -1.033378 0.565154 0.357736
H 6.358165 1.525777 -1.344214
H 5.839934 2.847095 0.728613
H -5.871983 1.841912 0.767941
H -1.673983 2.681203 1.509112
H -4.098293 3.326410 1.727465
H -7.002835 0.723250 -1.016565
H -7.122694 -0.180288 0.545475
H -7.286704 -1.059846 -1.022522


