%chk=000033442.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033442

0 1
 O    1.826800      -3.271700       1.259100    
 O    1.443800      -3.533600     -0.8948000    
 O    4.691300       1.862700      1.5600000E-02
 O   -4.540400       2.260700     -0.1377000    
 N    1.155200      -3.118900      0.2331000    
 C  -5.4200001E-02  -1.135300     -0.5529000    
 C  -0.1338000      -2.385200      0.3701000    
 C   -1.244700      -3.372200     -2.4599999E-02
 C    1.232700     -0.3219000     -0.3989000    
 C   -1.269000     -0.2162000     -0.4406000    
 C   -1.191000      -4.678400      0.7618000    
 C    1.482200      0.2934000      0.8062000    
 C   -1.882400     -7.8500003E-02  0.7847000    
 C    2.090900     -0.2378000      -1.470700    
 C   -1.706600      0.4422000      -1.568000    
 C    2.655500       1.034400      0.9471000    
 C   -2.991400      0.7614000      0.8877000    
 C    3.264300      0.5033000      -1.329600    
 C   -2.815500       1.282100      -1.464900    
 C    3.546700       1.139200     -0.1208000    
 C   -3.457800       1.441700     -0.2370000    
 C    4.656700       2.969500      0.9155000    
 C   -5.519500       1.926400      0.8448000    
 C    5.634800       4.022500      0.4398000    
 C   -6.874800       2.410300      0.3750000    
 H  -7.3799998E-02  -1.522800      -1.584300    
 H  -0.2092000      -2.129600       1.432600    
 H   -1.202800      -3.606900      -1.095800    
 H   -2.222200      -2.908100      0.1504000    
 H   -1.173800      -4.488200       1.839800    
 H   -2.080900      -5.277900      0.5424000    
 H  -0.3206000      -5.286700      0.4993000    
 H   0.8140000      0.2076000       1.655900    
 H   -1.539900     -0.5684000       1.687700    
 H    1.881600     -0.7279000      -2.416300    
 H   -1.212200      0.3254000      -2.527500    
 H    2.852300       1.488100       1.914000    
 H   -3.443500      0.8824000       1.867700    
 H    3.954500      0.5818000      -2.165200    
 H   -3.174300       1.809500      -2.344400    
 H    4.938400       2.627600       1.917400    
 H    3.663900       3.435400      0.9516000    
 H   -5.260000       2.412900       1.791500    
 H   -5.592000      0.8421000      0.9965000    
 H    5.642200       4.883500       1.114200    
 H    6.647700       3.610200      0.3830000    
 H    5.374000       4.364600     -0.5672000    
 H   -7.650000       2.179500       1.111100    
 H   -6.860300       3.492000      0.2053000    
 H   -7.142200       1.942600     -0.5785000    


%chk=000033442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033442

0 1
O 2.134320 -3.263588 1.054451
O 1.663163 -3.516160 -1.160546
O 4.616035 2.184080 -0.151054
O -5.018831 1.789807 -0.350636
N 1.375815 -3.113405 0.028918
C -0.063615 -1.177215 -0.700581
C 0.012603 -2.429725 0.233570
C -1.085409 -3.482991 -0.044456
C 1.151719 -0.249446 -0.518542
C -1.396950 -0.437068 -0.538977
C -1.017791 -4.712106 0.885889
C 1.242964 0.672203 0.550929
C -2.044605 -0.259567 0.707636
C 2.234271 -0.317503 -1.436615
C -1.997596 0.153517 -1.683500
C 2.375483 1.499237 0.717922
C -3.249307 0.471622 0.821898
C 3.368041 0.500820 -1.289711
C -3.192640 0.887004 -1.592159
C 3.445294 1.413027 -0.208566
C -3.828097 1.049541 -0.335046
C 4.756069 3.143964 0.961307
C -5.722780 1.991546 0.931564
C 6.110627 3.825626 0.787519
C -6.972687 2.811965 0.625140
H -0.020855 -1.575285 -1.733219
H 0.032250 -2.138255 1.297597
H -1.004077 -3.796617 -1.102659
H -2.059335 -2.975025 0.070516
H -1.069131 -4.415492 1.949970
H -1.863991 -5.392036 0.682377
H -0.085594 -5.286946 0.740984
H 0.413139 0.768823 1.259640
H -1.622483 -0.700693 1.618816
H 2.191298 -1.028864 -2.269387
H -1.514610 0.039339 -2.661483
H 2.409186 2.201284 1.556126
H -3.718269 0.580203 1.804234
H 4.204266 0.448410 -1.993382
H -3.653518 1.339512 -2.475440
H 4.699300 2.600560 1.927253
H 3.926630 3.880341 0.920872
H -5.054226 2.524271 1.639264
H -5.985798 1.005412 1.367637
H 6.274113 4.559368 1.597818
H 6.925661 3.082641 0.817317
H 6.158798 4.354499 -0.179602
H -7.542650 2.996727 1.553844
H -6.700615 3.784726 0.181447
H -7.624885 2.276710 -0.085693


