%chk=000043608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043608

0 1
 O   -1.064400       2.135000     -0.3676000    
 O   -1.231400      -2.395700      -1.277300    
 N  -0.7749000     -0.1271000     -0.8971000    
 N    2.824700     -0.3596000      6.6000000E-02
 C   -2.956100      0.6436000     -0.7495000    
 C   -2.946000     -0.8677000     -0.4957000    
 C   -1.494900       1.018200     -0.6122000    
 C   -1.562800      -1.259200     -0.9715000    
 C   -3.922500       1.464000      9.8399997E-02
 C   -3.085300      -1.280700      0.9788000    
 C   0.6646000     -0.1313000      -1.066900    
 C    1.375700     -0.3299000      0.2636000    
 C    3.293600      0.9165000     -0.4920000    
 C    3.509400     -0.6709000       1.328600    
 C    4.800700      0.8849000     -0.7507000    
 C    5.023500     -0.7546000       1.129400    
 C    5.573300      0.5271000      0.5139000    
 C   -4.200200      0.9049000       1.455300    
 C   -3.826900     -0.3174000       1.846500    
 H   -3.191200      0.8288000      -1.808400    
 H   -3.707200      -1.359900      -1.111200    
 H   -4.883800       1.530200     -0.4268000    
 H   -3.557500       2.491600      0.2086000    
 H   -2.102400      -1.452100       1.437300    
 H   -3.600200      -2.249300       1.015300    
 H   0.9299000     -0.9351000      -1.763600    
 H   0.9048000      0.8270000      -1.533200    
 H    1.085800      0.4574000      0.9723000    
 H    1.042400      -1.281600      0.6980000    
 H    3.049500       1.752700      0.1763000    
 H    2.847700       1.129400      -1.466600    
 H    3.162700      -1.638800       1.711000    
 H    3.280300      8.2900003E-02   2.093500    
 H    5.024600      0.1506000      -1.535200    
 H    5.134000       1.860600      -1.122100    
 H    5.513700     -0.9424000       2.091300    
 H    5.261800      -1.604600      0.4774000    
 H    6.637600      0.4078000      0.2838000    
 H    5.489300       1.346500       1.238300    
 H   -4.747400       1.534900       2.151100    
 H   -4.066900     -0.6411000       2.855600    


%chk=000043608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043608

0 1
O -1.126864 2.083731 -0.988733
O -1.090091 -2.588375 -0.619924
N -0.791139 -0.256391 -0.886253
N 2.888795 -0.224113 0.038177
C -3.055126 0.475596 -0.824598
C -2.968107 -0.963315 -0.235832
C -1.582034 0.918731 -0.891192
C -1.553138 -1.422132 -0.615268
C -4.010088 1.487461 -0.141635
C -3.089836 -1.007345 1.320178
C 0.667990 -0.262147 -1.087359
C 1.432283 -0.337181 0.258715
C 3.345319 1.186655 -0.067431
C 3.696277 -0.986810 1.025393
C 4.826899 1.261135 -0.487920
C 5.189142 -0.980016 0.636751
C 5.713454 0.467716 0.499233
C -4.579663 1.024713 1.183301
C -4.183351 -0.095620 1.837584
H -3.360296 0.378794 -1.887202
H -3.723838 -1.636069 -0.672393
H -4.849803 1.729238 -0.821752
H -3.462997 2.443452 -0.005828
H -2.122285 -0.709298 1.778278
H -3.262277 -2.052760 1.632957
H 0.935578 -1.136619 -1.703661
H 0.926662 0.662291 -1.630851
H 1.043044 0.455610 0.944483
H 1.215629 -1.315600 0.725192
H 3.214734 1.717445 0.913334
H 2.714271 1.714737 -0.805158
H 3.317355 -2.025201 1.055464
H 3.586773 -0.559248 2.057840
H 4.931972 0.836140 -1.504877
H 5.142587 2.321304 -0.531790
H 5.769420 -1.536783 1.397634
H 5.305093 -1.508729 -0.329088
H 6.767362 0.468590 0.162629
H 5.689705 0.962242 1.492764
H -5.362081 1.659892 1.620120
H -4.639727 -0.356121 2.801418


