%chk=000100417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100417

0 1
 O    2.503900     -7.1099997E-02  -1.031600    
 O    1.955600       2.536400       1.363200    
 O    4.113700      -2.352200     -0.7546000    
 O   -3.203800      -2.585500      0.3704000    
 N   0.3096000      0.3039000     -0.2203000    
 N  -0.9866000       2.324800     -0.4483000    
 N   -3.384400       1.944400     -0.2648000    
 N   -4.322200     -0.2159000      0.1028000    
 N   -1.152500      -3.577600      0.4280000    
 C    1.644100      0.8776000     -0.3757000    
 C    2.319200       1.238000      0.9381000    
 C    3.779500       1.158700      0.5545000    
 C    3.811000      9.9999997E-05 -0.4303000    
 C    4.115900      -1.334700      0.2344000    
 C  -0.8720000      0.9987000     -0.2595000    
 C   4.6399999E-02  -1.027200     -1.0600000E-02
 C   -1.910000      9.4400004E-02 -7.1400002E-02
 C   -1.319800      -1.185800      8.5299999E-02
 C   -3.202600      0.6164000     -7.9300001E-02
 C   -1.964700      -2.449200      0.3054000    
 C   -2.280200       2.705800     -0.4356000    
 H    1.547200       1.746700      -1.038000    
 H    2.092500      0.5204000       1.735200    
 H    4.084400       2.087100      5.4499999E-02
 H    4.444400       1.031000       1.414400    
 H    4.533900      0.1822000      -1.233100    
 H    3.363300      -1.599000      0.9841000    
 H    5.099500      -1.322400      0.7131000    
 H   0.8593000      -1.737100      5.7700001E-02
 H   0.9970000       2.534400       1.525900    
 H    3.236800      -2.349200      -1.175000    
 H   -2.459900       3.765400     -0.5816000    
 H   -4.236700      -1.207700      0.2488000    
 H   -5.241100      0.2067000      9.0000004E-02
 H  -0.1401000      -3.556100      0.3794000    
 H   -1.569600      -4.490800      0.5765000    


%chk=000100417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100417

0 1
O 2.671912 -0.523353 -0.792256
O 1.833614 2.954537 0.048012
O 4.130296 -2.355868 0.786562
O -3.451486 -2.670161 0.000284
N 0.379652 0.025411 -0.414935
N -0.727594 2.138770 0.208488
N -3.102112 1.911840 0.724548
N -4.243221 -0.140882 0.639456
N -1.579529 -3.830788 -0.662074
C 1.712833 0.580333 -0.743303
C 2.243821 1.601154 0.311960
C 3.768635 1.436350 0.151028
C 3.963907 -0.065331 -0.131796
C 4.167077 -0.931391 1.120541
C -0.729129 0.787096 -0.024895
C -0.023991 -1.297876 -0.572646
C -1.851260 -0.082389 0.081919
C -1.391794 -1.418326 -0.268511
C -3.084137 0.548263 0.484670
C -2.203418 -2.653861 -0.296895
C -1.953452 2.618266 0.576484
H 1.658742 1.078097 -1.733655
H 1.916375 1.253672 1.317801
H 4.093410 2.054241 -0.703695
H 4.311535 1.772819 1.049976
H 4.757396 -0.282655 -0.867071
H 3.402409 -0.679513 1.886764
H 5.170032 -0.753204 1.545181
H 0.708607 -2.035792 -0.890502
H 0.808192 2.934907 0.120516
H 3.316186 -2.499906 0.237227
H -2.014963 3.692203 0.774612
H -4.231689 -1.164997 0.457665
H -5.074761 0.375500 0.923519
H -0.595704 -3.887363 -0.912833
H -2.145391 -4.678203 -0.680146


