%chk=000018772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018772

0 1
 O   -2.901500     -0.6622000      -1.431200    
 O   -4.700300      -1.693100      0.3026000    
 N   -3.981100     -0.5296000      0.6061000    
 C    3.867200     -0.8507000     -3.4899998E-02
 C    3.371600      0.5618000      0.3319000    
 C    1.872200      0.7196000      0.2621000    
 C    3.221300      -1.930200      0.8373000    
 C    3.573700      -1.136100      -1.509800    
 C    1.108300      0.4580000       1.388600    
 C    1.286000       1.122500     -0.9274000    
 C  -0.8815000       1.008300      0.1335000    
 C  -0.2775000      0.6034000       1.323900    
 C  -9.9799998E-02   1.267800     -0.9921000    
 C   -2.363100       1.163300      6.4300001E-02
 C   -3.095500     -0.1029000     -0.3548000    
 H    4.953400     -0.8779000      0.1160000    
 H    3.850300       1.307200     -0.3173000    
 H    3.709600      0.8091000       1.347400    
 H    2.154300      -2.058200      0.6302000    
 H    3.350000      -1.704300       1.900900    
 H    3.700400      -2.897600      0.6487000    
 H    4.070300      -2.064200      -1.815000    
 H    2.505900      -1.267500      -1.710000    
 H    3.955900     -0.3362000      -2.152700    
 H    1.566900      0.1474000       2.322700    
 H    1.884200       1.334100      -1.808900    
 H  -0.8758000      0.3973000       2.207400    
 H  -0.5580000       1.583600      -1.925600    
 H   -2.630100       1.944700     -0.6592000    
 H   -2.740600       1.527900       1.028300    
 H   -4.069500     -0.1690000       1.549200    
 H   -5.518000      -1.302800     -4.9899999E-02


%chk=000018772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018772

0 1
O -3.347857 0.367955 -1.662658
O -4.658768 -1.652661 -0.554644
N -3.955723 -0.694657 0.257373
C 3.866113 -0.912887 -0.095607
C 3.376141 0.564773 0.091035
C 1.868491 0.746443 0.195032
C 3.502323 -1.807794 1.111922
C 3.360820 -1.535647 -1.417759
C 1.208801 0.709272 1.450519
C 1.071567 0.960230 -0.961646
C -0.977001 1.076452 0.385571
C -0.191987 0.868448 1.545534
C -0.326970 1.122586 -0.874134
C -2.489959 1.273740 0.496410
C -3.276415 0.308861 -0.383645
H 4.974197 -0.853700 -0.150937
H 3.758982 1.156769 -0.763653
H 3.858759 0.967605 1.003525
H 2.406463 -1.914557 1.210017
H 3.890762 -1.385982 2.058578
H 3.931396 -2.819744 0.989852
H 3.783325 -2.548086 -1.558104
H 2.259154 -1.625652 -1.418796
H 3.653308 -0.922085 -2.291072
H 1.798996 0.562155 2.363278
H 1.557291 1.008523 -1.943845
H -0.673377 0.841946 2.531559
H -0.924306 1.276309 -1.779755
H -2.767868 2.291822 0.163621
H -2.806602 1.178573 1.551810
H -3.952753 -0.953358 1.241966
H -4.468102 -1.282152 -1.479046


