%chk=000116135.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116135

0 1
 O  -0.1436000       2.378600      0.1922000    
 O    1.899300       1.145600      -2.182900    
 N  -0.5163000      7.2499998E-02  8.2800001E-02
 C   -1.953200      0.1983000      4.6599999E-02
 C   3.8999999E-03  -1.272800      3.9099999E-02
 C   -2.471400      0.8636000       1.324300    
 C   -2.393000      0.9690000      -1.200500    
 C  -0.4656000      -2.075100       1.255500    
 C  -0.3949000      -1.959900      -1.269200    
 C   -3.985200       1.055900       1.283700    
 C   -3.906700       1.162800      -1.237500    
 C   2.8899999E-02  -3.518200       1.201900    
 C   9.7900003E-02  -3.403800      -1.319300    
 C   -4.421500       1.822700      3.8600001E-02
 C  -0.3680000      -4.200700     -0.1041000    
 C   0.2830000       1.225000      0.1553000    
 C    1.745300       1.069600      0.2095000    
 C    2.490600       1.036800     -0.9598000    
 C    2.354800      0.9574000       1.451000    
 C    3.875600      0.8886000     -0.8867000    
 C    3.739900      0.8092000       1.524100    
 C    4.500300      0.7748000      0.3554000    
 H   -2.431800     -0.7847000     -8.7000001E-03
 H    1.096900      -1.262500      7.0000000E-02
 H   -2.017000       1.844300       1.496200    
 H   -2.209600      0.2533000       2.197400    
 H   -2.077200      0.4331000      -2.104100    
 H   -1.931100       1.959200      -1.262300    
 H   -1.557200      -2.102500       1.340600    
 H  -0.1001000      -1.601300       2.175100    
 H   2.0500001E-02  -1.406500      -2.120500    
 H   -1.479800      -1.976800      -1.417700    
 H   -4.313800       1.591900       2.181400    
 H   -4.477800      7.5800002E-02   1.299900    
 H   -4.395500      0.1893000      -1.367200    
 H   -4.180000       1.773800      -2.105100    
 H  -0.3775000      -4.080100       2.050500    
 H    1.121100      -3.533200       1.303900    
 H    1.194100      -3.413000      -1.362800    
 H  -0.2607000      -3.885100      -2.236200    
 H   -5.515100       1.883500      7.1000000E-03
 H   -4.045300       2.851700      9.3900003E-02
 H   5.9599999E-02  -5.209000     -0.1382000    
 H   -1.458600      -4.314100     -0.1391000    
 H    1.770200      0.9819000       2.366500    
 H    4.480700      0.8597000      -1.789000    
 H    4.226200      0.7200000       2.491200    
 H    5.578600      0.6591000      0.4125000    
 H    2.583600       1.096900      -2.872300    


%chk=000116135-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116135

0 1
O -0.117953 2.377315 0.402796
O 1.866091 0.359601 -2.053191
N -0.543593 0.096405 0.098402
C -2.025502 0.319895 0.052046
C -0.048810 -1.307717 0.001460
C -2.586334 0.902797 1.376474
C -2.450158 1.172840 -1.172205
C -0.495797 -2.171721 1.211728
C -0.436935 -1.981464 -1.340613
C -4.126483 1.038616 1.300934
C -3.990409 1.310586 -1.231499
C 0.098496 -3.598729 1.113990
C 0.162061 -3.405997 -1.429496
C -4.556162 1.894886 0.085337
C -0.271647 -4.277535 -0.226583
C 0.303611 1.181547 0.247026
C 1.806082 0.950368 0.286691
C 2.573604 0.635376 -0.864180
C 2.499071 1.250501 1.485028
C 3.987171 0.598674 -0.814485
C 3.908599 1.203827 1.554422
C 4.653817 0.879002 0.397676
H -2.474151 -0.685112 -0.078427
H 1.054623 -1.252707 0.034300
H -2.126916 1.891697 1.550215
H -2.297470 0.245890 2.220166
H -2.066353 0.701180 -2.097221
H -1.982807 2.169858 -1.089308
H -1.602355 -2.240880 1.238970
H -0.175360 -1.682339 2.151549
H -0.075443 -1.349720 -2.171099
H -1.540800 -2.051866 -1.425050
H -4.506534 1.486308 2.239735
H -4.588656 0.031526 1.217306
H -4.449214 0.314859 -1.412768
H -4.273529 1.951882 -2.088685
H -0.254786 -4.210775 1.966301
H 1.203459 -3.540409 1.199611
H 1.269713 -3.336611 -1.447984
H -0.144311 -3.883480 -2.380340
H -5.660717 1.958732 0.032946
H -4.176217 2.928328 0.216761
H 0.197480 -5.278570 -0.288837
H -1.369697 -4.434359 -0.266599
H 1.913585 1.541790 2.363707
H 4.562457 0.355456 -1.717860
H 4.419673 1.432633 2.494990
H 5.748251 0.849692 0.433155
H 2.490756 0.262523 -2.814289


