%chk=000046648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046648

0 1
 O    1.097300     -0.8150000     -0.5146000    
 N    2.546600      0.7966000      0.3904000    
 N   -2.057500       1.287500      0.4192000    
 N   -1.082900      0.5733000      9.3599997E-02
 C   -5.092300     -0.8160000      0.5351000    
 C    3.827000      0.2373000      0.1651000    
 C   -3.252200      0.6685000      3.7300002E-02
 C   -3.900700     -0.1990000      0.9163000    
 C   -5.635400     -0.5652000     -0.7250000    
 C   -3.795500      0.9191000      -1.222900    
 C   -4.987100      0.3022000      -1.603900    
 C    4.951700      0.9313000      0.5794000    
 C    3.928200     -0.9924000     -0.4641000    
 C   0.1915000       1.182300      0.4727000    
 C   -5.786400      -1.743200       1.474600    
 C    1.310700      0.2535000      4.8700001E-02
 C    6.213700      0.3801000      0.3580000    
 C    5.190200      -1.543600     -0.6855000    
 C    6.333000     -0.8573000     -0.2744000    
 H   -3.476700     -0.3910000       1.899400    
 H   -6.564200      -1.038000      -1.033000    
 H    2.547000       1.701000      0.8574000    
 H   -3.298400       1.594100      -1.914600    
 H   -5.410300      0.4980000      -2.584800    
 H    4.870000       1.895700       1.072900    
 H    3.093900      -1.583900     -0.8106000    
 H   0.3222000       2.147800     -2.9999999E-02
 H   0.2426000       1.326500       1.558200    
 H   -5.067700      -2.270100       2.111600    
 H   -6.477300      -1.183400       2.112900    
 H   -6.352400      -2.507400      0.9311000    
 H    7.103500      0.9144000      0.6780000    
 H    5.284800      -2.507200      -1.177800    
 H    7.315600      -1.286500     -0.4468000    


%chk=000046648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046648

0 1
O 2.568251 2.996736 0.714907
N 1.750754 0.843405 0.183076
N -1.902104 1.929852 0.339349
N -0.738927 1.659775 -0.168025
C -3.789018 -1.220077 -0.682902
C 2.878815 0.002708 0.383448
C -2.898151 0.898783 0.191795
C -2.746426 -0.273913 -0.599568
C -4.992738 -0.972512 0.039364
C -4.104566 1.139032 0.893996
C -5.149672 0.193792 0.819025
C 2.706178 -1.389460 0.152399
C 4.145719 0.496851 0.796450
C 0.241012 2.759316 0.003448
C -3.643728 -2.480042 -1.518531
C 1.645102 2.212954 0.346945
C 3.785044 -2.278172 0.331134
C 5.215689 -0.407314 0.970731
C 5.048920 -1.792544 0.741817
H -1.811692 -0.421229 -1.151336
H -5.811536 -1.700117 -0.021352
H 0.863852 0.406492 -0.115416
H -4.193691 2.056883 1.483710
H -6.084648 0.367703 1.361877
H 1.726929 -1.771540 -0.163726
H 4.271255 1.566949 0.973078
H 0.334503 3.294139 -0.963580
H -0.071185 3.492681 0.769243
H -2.711351 -2.470613 -2.107932
H -3.628003 -3.382479 -0.878346
H -4.488620 -2.595610 -2.222098
H 3.638556 -3.348916 0.150506
H 6.190294 -0.020641 1.289501
H 5.887681 -2.482872 0.880912


