%chk=000033066.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033066

0 1
 O   0.3052000       2.982900      0.2366000    
 O    5.023900      -1.250700     -0.2464000    
 N   -2.829600      0.1216000     -9.0300001E-02
 N   -1.680500      0.7311000     -0.4531000    
 C   -5.280900      -1.479900     -4.8400000E-02
 C   -4.027800      -1.904100      0.7067000    
 C   -5.309400      3.4400001E-02 -0.2110000    
 C   -2.765800      -1.337000      5.7399999E-02
 C   -4.015400      0.5513000     -0.8382000    
 C  -0.9709000       1.080900      0.5615000    
 C   0.3304000       1.763100      0.3063000    
 C    1.568800      0.9680000      0.1606000    
 C    1.500300     -0.4091000      0.2644000    
 C    2.764100       1.621500     -7.5900003E-02
 C    3.884200     -0.5188000     -0.1118000    
 C    2.668400      -1.159100      0.1270000    
 C    3.932200      0.8716000     -0.2133000    
 C    4.902800      -2.667700     -0.1322000    
 H   -5.294900      -1.956700      -1.036000    
 H   -6.175100      -1.817900      0.4866000    
 H   -4.092500      -1.557000       1.745800    
 H   -3.967800      -2.997800      0.7384000    
 H   -6.163700      0.3236000     -0.8336000    
 H   -5.454600      0.5045000      0.7700000    
 H   -1.909300      -1.613700      0.6838000    
 H   -2.607200      -1.805200     -0.9225000    
 H   -3.944600      0.2144000      -1.880400    
 H   -4.059100       1.647300     -0.8594000    
 H   -1.226900      0.9227000       1.623800    
 H   0.5726000     -0.9390000      0.4530000    
 H    2.820500       2.702900     -0.1581000    
 H    2.559900      -2.234600      0.2177000    
 H    4.876500       1.375800     -0.3994000    
 H    5.904400      -3.089500     -0.2657000    
 H    4.272700      -3.083100     -0.9260000    
 H    4.562100      -2.963300      0.8659000    


%chk=000033066-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033066

0 1
O 0.670853 1.902768 2.640047
O 5.094619 -0.757194 -1.131733
N -2.730640 -0.443889 0.411732
N -1.406232 -0.181773 0.594110
C -5.487315 -1.198367 -0.183415
C -5.156525 0.148823 0.495435
C -4.327512 -1.610259 -1.117848
C -3.817311 0.097493 1.265955
C -3.005262 -1.694947 -0.331523
C -0.978344 0.705020 1.486387
C 0.444104 1.065334 1.692756
C 1.591983 0.526050 0.891000
C 1.470635 -0.363117 -0.209667
C 2.899792 0.954561 1.270402
C 3.897256 -0.376180 -0.513076
C 2.608889 -0.813999 -0.911216
C 4.038095 0.513930 0.584484
C 5.011544 -1.675221 -2.270951
H -5.639442 -1.980883 0.588545
H -6.432958 -1.117241 -0.750428
H -5.093776 0.940534 -0.275915
H -5.955546 0.441140 1.202472
H -4.527695 -2.591815 -1.586804
H -4.224366 -0.866108 -1.931288
H -3.544841 1.117477 1.586768
H -3.918206 -0.526220 2.182952
H -3.056306 -2.547096 0.384053
H -2.142158 -1.866461 -0.994743
H -1.637513 1.253326 2.179099
H 0.475504 -0.698556 -0.509211
H 2.984047 1.642688 2.117796
H 2.482288 -1.497258 -1.756661
H 5.043131 0.838100 0.871057
H 6.052519 -1.832911 -2.588728
H 4.429695 -1.232208 -3.102344
H 4.559998 -2.642139 -1.975700


