%chk=000056322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056322

0 1
 O   -1.981300      0.3697000       1.907700    
 O    1.998200     -0.1048000      -1.553300    
 O   0.7548000       3.052400     -0.1141000    
 N   3.0200001E-02  0.7841000     -6.3000000E-03
 N    3.361300     -0.8053000      0.1884000    
 C    1.165600      0.2253000      0.6702000    
 C   -1.108000     -9.8600000E-02 -0.2767000    
 C    2.198800     -0.2355000     -0.3428000    
 C   -2.046900     -0.2527000      0.6966000    
 C  -7.4600004E-02   2.168400     -0.3427000    
 C   -1.140200     -0.7041000      -1.496800    
 C   -3.124700      -1.095200      0.4243000    
 C   -2.218000      -1.546700      -1.769000    
 C   -3.210300      -1.742300     -0.8084000    
 C   -1.326300       2.552600      -1.098200    
 C    4.446700      -1.298700     -0.6556000    
 C    3.575000     -0.9488000       1.623100    
 C   -1.300400     -0.3199000       2.953600    
 H   0.8559000     -0.6288000       1.278000    
 H    1.606700       1.004400       1.300300    
 H  -0.3834000     -0.5474000      -2.256100    
 H   -3.901900      -1.251900       1.167600    
 H   -2.286600      -2.047600      -2.730200    
 H   -4.050000      -2.397500      -1.020800    
 H    4.595800      -2.363200     -0.4534000    
 H    5.359300     -0.7446000     -0.4179000    
 H    4.211900      -1.164500      -1.714500    
 H    2.786400     -0.5370000       2.250300    
 H    4.511600     -0.4456000       1.883700    
 H    3.671400      -2.015400       1.849400    
 H   -2.222100       2.353800     -0.5055000    
 H   -1.373400       2.037900      -2.060700    
 H   -1.303200       3.628600      -1.301700    
 H  -0.4034000      0.2430000       3.226000    
 H   -1.023600      -1.343000       2.676300    
 H   -1.960700     -0.3608000       3.824500    


%chk=000056322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056322

0 1
O -2.611761 0.589146 1.628582
O 1.942013 -1.424554 -1.471007
O 1.374784 1.887709 0.777338
N 0.011220 0.083983 0.283306
N 3.524224 -0.681690 0.069483
C 1.100414 -0.815352 0.738664
C -1.235029 -0.481379 -0.184267
C 2.228027 -0.969815 -0.312052
C -2.470605 -0.215518 0.478876
C 0.281400 1.456687 0.283298
C -1.229754 -1.320194 -1.328165
C -3.677620 -0.726092 -0.055397
C -2.433099 -1.849763 -1.836881
C -3.662879 -1.534692 -1.209512
C -0.759623 2.384812 -0.318541
C 4.619239 -0.968321 -0.877549
C 3.891991 0.001353 1.329489
C -1.680889 0.384790 2.757623
H 0.663660 -1.819499 0.873561
H 1.479202 -0.456958 1.708961
H -0.260579 -1.525171 -1.800210
H -4.609164 -0.488661 0.467814
H -2.412258 -2.490230 -2.724767
H -4.604602 -1.929002 -1.606860
H 5.403055 -1.570882 -0.382110
H 5.072009 -0.028238 -1.246506
H 4.205378 -1.523671 -1.732339
H 3.953926 -0.703597 2.181469
H 3.171326 0.808241 1.543016
H 4.886295 0.460318 1.197809
H -1.646940 2.460311 0.336346
H -1.102553 2.021503 -1.302671
H -0.305897 3.381028 -0.425679
H -0.767029 0.993995 2.646904
H -1.409241 -0.682820 2.857796
H -2.238037 0.712521 3.649477


