%chk=000066871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066871

0 1
 O    6.407700       2.337800      5.5399999E-02
 N    2.405100      -1.521900     -3.6400001E-02
 N   -3.194900      -1.184600     -2.9300001E-02
 C   0.9975000      -1.438100     -3.3000000E-02
 C   -1.789100      -1.270900     -2.8500000E-02
 C   0.2383000      -2.425100     -0.6618000    
 C   0.3639000     -0.3674000      0.5983000    
 C   -1.154000      -2.341500     -0.6596000    
 C   -1.028400     -0.2840000      0.6005000    
 C    3.419200     -0.5446000     -1.3300000E-02
 C   -4.084800     -9.0800002E-02 -3.1999999E-03
 C    4.649700     -0.8273000      0.5816000    
 C    3.195000      0.7090000     -0.5846000    
 C   -5.338300     -0.2251000      0.5938000    
 C   -3.711500       1.125700     -0.5749000    
 C    5.653300      0.1410000      0.6054000    
 C    4.198600       1.677400     -0.5610000    
 C    5.428000       1.393400      3.3900000E-02
 C   -6.218500      0.8567000      0.6190000    
 C   -4.591700       2.207400     -0.5496000    
 C   -5.845200       2.072900      4.7300000E-02
 H   0.7205000      -3.263400      -1.158300    
 H   0.9287000      0.4012000       1.118700    
 H    2.756700      -2.475100     -6.0699999E-02
 H   -1.734200      -3.116000      -1.154800    
 H   -1.495300      0.5469000       1.122400    
 H   -3.659900      -2.087900     -5.3700000E-02
 H    4.837300      -1.799200       1.031200    
 H    2.255700      0.9509000      -1.074300    
 H   -5.640500      -1.167600       1.043400    
 H   -2.750900       1.252900      -1.066400    
 H    6.606600     -9.2699997E-02   1.072000    
 H    4.019000       2.649500      -1.012200    
 H   -7.194600      0.7521000       1.083600    
 H   -4.303400       3.153200     -0.9993000    
 H   -6.531000       2.914800      6.5800004E-02
 H    7.188700       1.971400      0.5048000    


%chk=000066871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066871

0 1
O 6.555515 2.356643 0.013539
N 2.445483 -1.554214 -0.041850
N -3.246751 -1.194156 0.055616
C 1.039047 -1.398280 -0.032846
C -1.828904 -1.215258 0.012858
C 0.227720 -2.453149 -0.537318
C 0.385428 -0.259095 0.513692
C -1.175367 -2.362792 -0.515410
C -1.019435 -0.170739 0.537331
C 3.448670 -0.555177 -0.000589
C -4.122388 -0.087672 0.040654
C 4.743380 -0.904723 0.472171
C 3.237106 0.773788 -0.468621
C -5.472612 -0.290306 0.452327
C -3.735274 1.205856 -0.413972
C 5.794861 0.035227 0.476005
C 4.279628 1.718633 -0.446703
C 5.561205 1.355684 0.025682
C -6.403109 0.766597 0.412663
C -4.675212 2.257433 -0.438594
C -6.012734 2.054430 -0.025645
H 0.703694 -3.342867 -0.968440
H 0.974608 0.542357 0.968473
H 2.782120 -2.516953 -0.082765
H -1.774411 -3.182495 -0.931282
H -1.487907 0.696301 1.011776
H -3.698645 -2.109006 0.094345
H 4.927320 -1.919479 0.845782
H 2.265187 1.060906 -0.879139
H -5.784090 -1.280531 0.809723
H -2.718913 1.378023 -0.778381
H 6.786427 -0.261730 0.842208
H 4.119084 2.738600 -0.808686
H -7.435426 0.585371 0.733467
H -4.358770 3.243665 -0.797925
H -6.734432 2.877385 -0.048699
H 7.411198 2.002725 0.360754


