%chk=000016583.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016583

0 1
 O   0.1187000       1.207000     -0.6308000    
 O  -0.1897000      -1.317700      -1.486500    
 N   -2.397800      0.2414000      0.2376000    
 C   -2.095000       1.669400      0.1484000    
 C   -3.819500      4.1999999E-03 -9.3000000E-03
 C   -2.012300     -0.2821000       1.547600    
 C  -0.6102000       1.917600      0.3614000    
 C   -4.238200      0.5420000      -1.367200    
 C   -2.263300      -1.777800       1.636700    
 C    1.379500      0.7905000     -0.2917000    
 C    1.707500     -0.5611000     -0.3067000    
 C    2.327000       1.744000      6.7299999E-02
 C    2.996700     -0.9640000      4.1299999E-02
 C    3.616300       1.341100      0.4152000    
 C   0.7265000      -1.570400     -0.6804000    
 C    3.951100     -1.2900000E-02  0.4022000    
 C   0.8026000      -2.971100     -8.5000001E-02
 H   -2.677000       2.255500      0.8705000    
 H   -2.318200       2.048400     -0.8543000    
 H   -4.031400      -1.070000     -3.4699999E-02
 H   -4.450700      0.4471000      0.7715000    
 H  -0.9381000     -0.1741000       1.718300    
 H   -2.529800      0.2325000       2.367000    
 H  -0.2741000       1.693600       1.380200    
 H  -0.4197000       2.987500      0.2079000    
 H   -4.335600       1.632100      -1.375200    
 H   -3.544000      0.2376000      -2.158200    
 H   -5.224300      0.1420000      -1.629800    
 H   -3.320200      -2.003700       1.811900    
 H   -1.942700      -2.304800      0.7343000    
 H   -1.707400      -2.198600       2.481900    
 H    2.082800       2.802500      7.3200002E-02
 H    3.291800      -2.009400      3.0200001E-02
 H    4.360300       2.081700      0.6937000    
 H    4.956000     -0.3261000      0.6702000    
 H    1.024000      -2.917900      0.9844000    
 H    1.564600      -3.554000     -0.6082000    
 H  -0.1622000      -3.471300     -0.2056000    


%chk=000016583-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016583

0 1
O 0.033571 0.576371 -0.221739
O -0.001823 -1.077654 -2.366517
N -2.835275 0.625033 0.970220
C -2.059027 1.667564 0.263250
C -3.829993 -0.063707 0.103700
C -3.366699 1.089702 2.276006
C -0.565290 1.642538 0.609510
C -3.178613 -1.109603 -0.821511
C -3.635968 -0.059694 3.266233
C 1.382620 0.292567 -0.086799
C 1.931777 -0.748264 -0.917904
C 2.216882 0.972205 0.843090
C 3.307321 -1.070433 -0.746984
C 3.577905 0.631910 0.967501
C 1.127424 -1.476309 -1.957479
C 4.132604 -0.397154 0.173984
C 1.725432 -2.756193 -2.559335
H -2.451261 2.691713 0.479484
H -2.143388 1.516889 -0.827470
H -4.560510 -0.569459 0.761139
H -4.414487 0.672985 -0.503896
H -2.608013 1.761475 2.724083
H -4.294732 1.707004 2.151467
H -0.416151 1.417857 1.684351
H -0.079699 2.609355 0.358521
H -2.363856 -0.681326 -1.430318
H -2.734205 -1.921227 -0.219071
H -3.933074 -1.545288 -1.504486
H -4.416216 -0.749312 2.897171
H -2.713767 -0.645698 3.423781
H -3.977247 0.340594 4.239427
H 1.805455 1.765997 1.471801
H 3.743828 -1.861331 -1.364059
H 4.203232 1.170625 1.688411
H 5.189038 -0.666373 0.270203
H 2.065341 -3.462611 -1.781012
H 2.591156 -2.525341 -3.209043
H 0.949708 -3.234705 -3.176409


