%chk=000023421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023421

0 1
 O    2.376400      -1.331600      0.9368000    
 O   0.6614000      -1.769600     -0.6102000    
 O   -1.398800      0.4542000      0.9491000    
 O   -2.018800     -1.3600000E-02  -1.242400    
 N   -3.295300     -0.7686000      0.5416000    
 C    1.035300      -1.002000      0.5445000    
 C   0.8952000      0.4704000      0.2531000    
 C    2.640900      -2.565400      0.2711000    
 C    1.854800      -2.446200      -1.006000    
 C  -0.3159000       1.128000      0.4697000    
 C    1.993400       1.175900     -0.2387000    
 C  -0.4284000       2.490900      0.1947000    
 C    1.880800       2.538800     -0.5136000    
 C   0.6700000       3.196300     -0.2970000    
 C   -2.230300     -0.1096000     -3.7099998E-02
 C   -4.320600      -1.448100     -0.2155000    
 H   0.3822000      -1.296400       1.373900    
 H    2.265100      -3.379400      0.9006000    
 H    3.713500      -2.697600      0.1101000    
 H    2.372300      -1.816700      -1.737800    
 H    1.619700      -3.410500      -1.463100    
 H    2.944800      0.6863000     -0.4271000    
 H   -1.368500       3.010000      0.3613000    
 H    2.735100       3.087700     -0.8989000    
 H   0.5821000       4.257300     -0.5118000    
 H   -3.361200     -0.7775000       1.554800    
 H   -4.324800      -2.499100      8.3200000E-02
 H   -4.141700      -1.368600      -1.290300    
 H   -5.284200     -0.9976000      3.4699999E-02


%chk=000023421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023421

0 1
O 2.526617 -1.378979 1.217191
O 0.800741 -2.097688 -0.239908
O -1.334864 -0.028105 0.323365
O -3.210197 1.243474 -0.448236
N -3.346297 -1.016243 0.187329
C 1.137606 -1.095020 0.803523
C 1.012207 0.335507 0.294408
C 3.049562 -2.457784 0.339190
C 2.097677 -2.431772 -0.870347
C -0.278261 0.875938 0.036682
C 2.140203 1.155791 0.077741
C -0.447317 2.194690 -0.440405
C 1.994405 2.474871 -0.408617
C 0.703372 2.984528 -0.667206
C -2.700931 0.175507 -0.032468
C -4.787071 -1.172157 -0.022882
H 0.446093 -1.300240 1.637336
H 2.998488 -3.422748 0.877456
H 4.096329 -2.212684 0.093468
H 2.386924 -1.654789 -1.604929
H 1.971609 -3.404389 -1.369173
H 3.125919 0.747909 0.320375
H -1.448930 2.583273 -0.628525
H 2.878521 3.100068 -0.572274
H 0.579305 4.007492 -1.039598
H -2.770416 -1.810033 0.470387
H -4.998163 -1.916186 -0.812956
H -5.193654 -0.198780 -0.339539
H -5.294975 -1.483751 0.908312


