%chk=000054571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054571

0 1
 O   -2.893600       1.082700      2.8200001E-02
 O   -2.144000      -1.692700     -0.1933000    
 O    1.127700     -0.7933000      0.2275000    
 O   9.1899998E-02  -1.853800      -1.544300    
 N    4.797700      -1.155100      0.2564000    
 C   -1.643300      0.6627000     -0.5436000    
 C   -1.200000     -0.6554000      9.0899996E-02
 C  -0.6476000       1.783300     -0.3303000    
 C    3.480300     -0.7181000      0.6938000    
 C   5.7399999E-02  -1.180600     -0.5231000    
 C   -3.794500      5.7700001E-02  0.1355000    
 C   -3.433900      -1.285400      1.8300001E-02
 C    2.404000      -1.231200     -0.2494000    
 C    5.083200     -0.6678000      -1.095300    
 C    5.831400     -0.6965000       1.187700    
 C  -0.7517000       2.602800      0.7931000    
 C   0.3726000       1.994500      -1.257100    
 C   -5.123200      0.4052000      0.3816000    
 C   -4.408000      -2.280600      0.1037000    
 C    6.427300      -1.175300      -1.589300    
 C    5.557400      -1.189500       2.598400    
 C   0.1656000       3.635100      0.9898000    
 C    1.289900       3.026800      -1.060200    
 C   -6.094700     -0.5909000      0.4809000    
 C   -5.738500      -1.931800      0.3367000    
 C    1.186300       3.847000      6.3299999E-02
 H   -1.813900      0.5425000      -1.623600    
 H   -1.090900     -0.5913000       1.181900    
 H    3.413700      0.3756000      0.7722000    
 H    3.223200      -1.112500       1.683000    
 H    2.417700      -2.326900     -0.2939000    
 H    2.503300     -0.8207000      -1.257500    
 H    5.051000      0.4272000      -1.154200    
 H    4.366100      -1.061700      -1.820000    
 H    5.922900      0.3970000       1.191600    
 H    6.807400      -1.110400      0.9143000    
 H   -1.526500       2.451400       1.539400    
 H   0.4635000       1.364900      -2.138100    
 H   -5.410700       1.447900      0.4863000    
 H   -4.137600      -3.328000      6.9999998E-04
 H    6.513100     -0.9980000      -2.667600    
 H    6.540100      -2.252800      -1.426800    
 H    7.268800     -0.6546000      -1.122100    
 H    4.750800     -0.6346000       3.087200    
 H    5.320400      -2.258800       2.618000    
 H    6.451100      -1.044000       3.216100    
 H   8.7700002E-02   4.271500       1.866500    
 H    2.085200       3.191300      -1.781200    
 H   -7.130500     -0.3218000      0.6662000    
 H   -6.497200      -2.705500      0.4101000    
 H    1.901400       4.649800      0.2172000    


%chk=000054571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054571

0 1
O -3.006232 1.108839 -0.153342
O -2.136344 -1.666759 0.067671
O 1.146690 -0.900372 0.429854
O 0.261333 -1.512500 -1.644322
N 4.894145 -0.910005 0.522526
C -1.741465 0.642296 -0.769695
C -1.188377 -0.533630 0.092778
C -0.790302 1.819279 -0.828848
C 3.504267 -0.621283 0.950868
C 0.121950 -1.055086 -0.489658
C -3.897700 0.071008 0.207184
C -3.477082 -1.281025 0.307932
C 2.522440 -1.284550 -0.022204
C 5.401363 0.063740 -0.483142
C 5.831619 -1.137483 1.655078
C -0.729346 2.747735 0.239592
C 0.075344 1.973851 -1.939375
C -5.237219 0.415129 0.476883
C -4.401799 -2.287344 0.650438
C 6.480149 -0.533416 -1.406981
C 5.626498 -2.502764 2.338077
C 0.192355 3.816451 0.198344
C 1.001553 3.039999 -1.976073
C -6.161541 -0.590762 0.831633
C -5.746108 -1.943165 0.908416
C 1.063040 3.963755 -0.906947
H -1.952477 0.241620 -1.780822
H -1.038204 -0.191400 1.133713
H 3.288171 0.471343 1.005890
H 3.334710 -1.032000 1.961249
H 2.607027 -2.384128 0.005346
H 2.660992 -0.944339 -1.063728
H 5.791833 0.989422 0.010550
H 4.543281 0.383548 -1.104105
H 5.761342 -0.317888 2.414526
H 6.858758 -1.099925 1.249593
H -1.423667 2.643463 1.079677
H 0.025491 1.261185 -2.771347
H -5.533793 1.465423 0.394039
H -4.049936 -3.321663 0.714120
H 6.806528 0.213809 -2.154194
H 6.080070 -1.415199 -1.936736
H 7.374375 -0.853447 -0.842471
H 4.616750 -2.597380 2.777598
H 5.756217 -3.317629 1.604871
H 6.359224 -2.639100 3.155153
H 0.229302 4.536261 1.023642
H 1.664425 3.155355 -2.840798
H -7.202040 -0.320897 1.039261
H -6.463559 -2.726579 1.173084
H 1.775749 4.795508 -0.939198


