%chk=000028233.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028233

0 1
 O    2.686200      3.6400001E-02   1.249900    
 O   -3.640600     -0.5883000     -0.1453000    
 N    5.184500      0.2478000      0.1013000    
 N    1.883900     -0.8920000     -0.7517000    
 C    6.555100     -0.2579000      3.1099999E-02
 C    5.063100       1.500700     -0.6432000    
 C    4.245600     -0.7472000     -0.4160000    
 C    6.844500      -1.171100       1.219600    
 C    5.611500       2.662300      0.1817000    
 C    2.862200     -0.4788000      0.1504000    
 C   0.4792000     -0.8144000     -0.5976000    
 C    8.272100      -1.693800       1.181800    
 C    5.477100       3.982000     -0.5623000    
 C  -0.1356000      0.4246000     -0.4168000    
 C  -0.2905000      -1.977400     -0.6265000    
 C   -1.520200      0.5006000     -0.2646000    
 C   -1.674900      -1.901400     -0.4743000    
 C   -2.289800     -0.6624000     -0.2935000    
 C   0.6620000       1.688100     -0.3833000    
 C   0.3388000      -3.319100     -0.8188000    
 C   -4.203800      0.7101000      3.5799999E-02
 C   -5.688300      0.5799000      0.2111000    
 C   -6.528200      0.6205000     -0.9020000    
 C   -6.228700      0.4178000       1.486900    
 C   -7.908300      0.4993000     -0.7392000    
 C   -7.608800      0.2965000       1.649500    
 C   -8.448400      0.3373000      0.5363000    
 H    6.737400     -0.7826000     -0.9165000    
 H    7.290200      0.5536000      6.7599997E-02
 H    5.564700       1.439300      -1.618100    
 H    4.009400       1.724900     -0.8521000    
 H    4.236300     -0.7578000      -1.513500    
 H    4.493100      -1.763400     -8.8500001E-02
 H    6.693100     -0.6219000       2.157200    
 H    6.167300      -2.031400       1.240500    
 H    5.065800       2.734300       1.130900    
 H    6.667900       2.523700      0.4321000    
 H    2.190800      -1.606000      -1.409400    
 H    8.452300      -2.276600      0.2728000    
 H    8.993400     -0.8709000       1.211800    
 H    8.461600      -2.341600       2.043500    
 H    6.038400       3.961100      -1.502000    
 H    4.428900       4.198700     -0.7920000    
 H    5.866700       4.802800      4.8000000E-02
 H   -1.944100       1.489400     -0.1264000    
 H   -2.285100      -2.801000     -0.4961000    
 H    1.045200       1.878400      0.6230000    
 H    1.488100       1.672300      -1.100800    
 H   4.2500000E-02   2.547400     -0.6661000    
 H   0.7588000      -3.402800      -1.826500    
 H    1.129900      -3.485900     -7.9899997E-02
 H  -0.3875000      -4.130200     -0.6967000    
 H   -4.008900       1.344900     -0.8387000    
 H   -3.794400       1.193400      0.9330000    
 H   -6.119500      0.7438000      -1.901400    
 H   -5.585200      0.3820000       2.361900    
 H   -8.562100      0.5302000      -1.605900    
 H   -8.029600      0.1695000       2.642700    
 H   -9.522900      0.2425000      0.6630000    


%chk=000028233-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000028233

0 1
O 2.670307 -1.076603 1.553390
O -3.547114 -0.296066 -0.324244
N 5.196117 -0.067978 -0.104001
N 2.055564 -1.005076 -0.709342
C 6.567586 -0.200068 0.443671
C 5.079453 0.757638 -1.327432
C 4.437601 -1.335792 -0.141396
C 6.592145 -0.308933 1.984041
C 5.185410 2.273961 -1.051406
C 2.980670 -1.136407 0.329878
C 0.641009 -0.781493 -0.569362
C 8.021255 -0.514481 2.530721
C 5.087651 3.110012 -2.345670
C 0.145404 0.346541 0.140388
C -0.251404 -1.703038 -1.199950
C -1.257994 0.522723 0.243470
C -1.638995 -1.492607 -1.097368
C -2.145142 -0.391843 -0.367197
C 1.071952 1.367606 0.766642
C 0.286197 -2.903264 -1.959410
C -4.126178 0.803553 0.460387
C -5.637076 0.666939 0.455749
C -6.438387 1.817128 0.663348
C -6.263171 -0.592636 0.293849
C -7.845757 1.709878 0.723049
C -7.671369 -0.698525 0.345311
C -8.467381 0.449661 0.564240
H 7.104609 -1.078333 0.001243
H 7.142265 0.696561 0.144614
H 5.840377 0.467632 -2.098086
H 4.086097 0.565567 -1.777949
H 4.467139 -1.815909 -1.153021
H 4.891979 -2.044191 0.571416
H 6.141314 0.609628 2.403698
H 5.940433 -1.142395 2.310502
H 4.381387 2.554317 -0.344563
H 6.142106 2.496580 -0.539790
H 2.400381 -1.214779 -1.649994
H 8.471483 -1.446629 2.138440
H 8.685380 0.323980 2.245902
H 8.018576 -0.581056 3.633582
H 5.899754 2.851757 -3.051804
H 4.124916 2.937109 -2.863570
H 5.161759 4.190789 -2.128402
H -1.630961 1.391729 0.793877
H -2.347738 -2.182742 -1.565463
H 1.534011 0.958630 1.683805
H 1.906035 1.624889 0.087302
H 0.528165 2.293922 1.018832
H 0.826011 -2.607060 -2.881892
H 0.993286 -3.485013 -1.339348
H -0.533231 -3.573943 -2.266108
H -3.821771 1.779311 0.028314
H -3.732917 0.748966 1.498889
H -5.964144 2.800472 0.777216
H -5.641976 -1.474960 0.114496
H -8.454498 2.606621 0.884437
H -8.147269 -1.677048 0.214385
H -9.559109 0.364966 0.605381


