%chk=000043339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043339

0 1
 O  -0.7750000     -0.1878000       1.213100    
 O    3.941400     -0.2947000      0.8168000    
 O  -0.7368000      -2.170200      7.3700003E-02
 N   -4.231800      0.3748000      5.9300002E-02
 N    1.224200      -1.006100      0.6023000    
 C   -4.782700       1.497300     -0.7076000    
 C   -4.713800     -0.9401000     -0.3669000    
 C   -6.278900       1.458300      -1.033600    
 C   -5.960700      -1.340000      0.4270000    
 C   -7.161900      0.9151000      8.4899999E-02
 C   -7.248200     -0.6089000      5.8699999E-02
 C   -2.768900      0.4356000      4.8200000E-02
 C   -2.193600     -0.2559000       1.274000    
 C    3.797100       2.432400     -0.1330000    
 C    3.640900       3.944200      5.2999999E-02
 C    4.997800       1.849600      0.6105000    
 C    2.424800       4.523500     -0.6710000    
 C    5.131000      0.3517000      0.3693000    
 C  -0.1394000      -1.225000      0.5737000    
 C    2.355300       6.035200     -0.5154000    
 C    2.247700      -1.818900      6.3800000E-02
 C    3.587100      -1.447400      0.1814000    
 C    1.907200      -3.002900     -0.5904000    
 C    4.585900      -2.260100     -0.3552000    
 C    2.906000      -3.815400      -1.127000    
 C    4.245300      -3.444000      -1.009500    
 H   -4.246000       1.611100      -1.659500    
 H   -4.593900       2.414500     -0.1343000    
 H   -3.966400      -1.718800     -0.1723000    
 H   -4.896700     -0.9811000      -1.448000    
 H   -6.594700       2.484400      -1.261300    
 H   -6.443900      0.8825000      -1.953000    
 H   -6.131500      -2.414500      0.2819000    
 H   -5.766800      -1.210900       1.500100    
 H   -6.826600       1.273000       1.065000    
 H   -8.176600       1.305900     -6.2199999E-02
 H   -7.576200     -0.9384000     -0.9353000    
 H   -8.032600     -0.9257000      0.7573000    
 H   -2.354200      2.1900000E-02 -0.8805000    
 H   -2.422500       1.478200      8.0499999E-02
 H   -2.501800      0.2765000       2.181500    
 H   -2.530500      -1.290900       1.397500    
 H    3.892400       2.213600      -1.203900    
 H    2.875600       1.944900      0.2076000    
 H    3.563300       4.169100       1.124100    
 H    4.549500       4.441400     -0.3092000    
 H    5.917900       2.354200      0.2947000    
 H    4.869600       2.034000       1.684000    
 H    1.507600       4.073600     -0.2741000    
 H    2.474200       4.274100      -1.737300    
 H    5.985700     -3.4699999E-02  0.9360000    
 H    5.304900      0.1983000     -0.7037000    
 H    2.278300       6.317600      0.5394000    
 H    3.245000       6.514600     -0.9360000    
 H    1.478100       6.429600      -1.037800    
 H    1.536500     -0.1567000       1.066400    
 H   0.8957000      -3.359700     -0.7222000    
 H    5.642300      -2.027600     -0.2607000    
 H    5.022900      -4.080700      -1.421300    
 H    2.642400      -4.738500      -1.635200    


%chk=000043339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043339

0 1
O -0.811399 -0.077722 0.750854
O 3.610671 -0.164456 0.259635
O -0.843597 -2.346015 0.093688
N -4.418437 0.143732 -0.381673
N 1.149861 -1.071390 0.246637
C -5.108137 1.107651 -1.268748
C -5.004808 -1.219615 -0.302606
C -6.651194 1.074028 -1.156649
C -6.002789 -1.356753 0.873011
C -7.203240 0.894054 0.281628
C -7.338405 -0.594747 0.693960
C -2.947889 0.183076 -0.503247
C -2.294024 -0.107407 0.861811
C 4.048994 2.786114 -0.194222
C 3.897846 4.232242 0.328157
C 4.814029 1.873647 0.789858
C 3.136130 5.156261 -0.649122
C 4.961802 0.427693 0.310989
C -0.211364 -1.283714 0.330826
C 2.984735 6.598432 -0.118724
C 2.145218 -1.998875 -0.145885
C 3.488688 -1.508932 -0.143879
C 1.895119 -3.335570 -0.531459
C 4.558076 -2.344025 -0.521954
C 2.972844 -4.169845 -0.910586
C 4.296084 -3.681396 -0.907388
H -4.836128 0.955947 -2.346107
H -4.748615 2.119229 -0.990920
H -4.180029 -1.942524 -0.153592
H -5.496644 -1.509010 -1.260408
H -7.027246 2.020431 -1.593198
H -7.059895 0.263512 -1.792521
H -6.225062 -2.432356 1.035185
H -5.486896 -0.988533 1.781259
H -6.554102 1.428851 1.002150
H -8.206939 1.360554 0.340798
H -7.951043 -1.109990 -0.076215
H -7.910198 -0.662145 1.641596
H -2.553707 -0.539363 -1.256603
H -2.644442 1.194978 -0.829885
H -2.537496 0.681779 1.589183
H -2.603240 -1.093782 1.249792
H 4.578977 2.800415 -1.169783
H 3.047505 2.355249 -0.388249
H 3.367137 4.216213 1.303258
H 4.902526 4.661367 0.528210
H 5.833360 2.278559 0.956953
H 4.307070 1.871556 1.774747
H 2.133380 4.726589 -0.848630
H 3.666285 5.172854 -1.623347
H 5.586996 -0.165075 1.009672
H 5.414503 0.385206 -0.701625
H 2.428510 6.612473 0.837675
H 3.973854 7.060129 0.062597
H 2.439345 7.239023 -0.835851
H 1.488954 -0.137489 0.495863
H 0.866485 -3.702227 -0.527877
H 5.585566 -1.969250 -0.521536
H 5.127593 -4.330513 -1.201469
H 2.769824 -5.204024 -1.207740


