%chk=000119553.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119553

0 1
 O    9.203900      0.3054000      0.2228000    
 O    7.961100      0.5383000      -1.662800    
 N   -2.028800      0.4906000      0.4722000    
 N   -2.342200      -4.029900       1.119500    
 C  -0.7504000      0.3310000       1.154800    
 C   0.4638000      0.4321000      0.2281000    
 C    1.797400      0.3243000      0.9729000    
 C   -2.759500     -0.5261000     -6.9799997E-02
 C   -2.661300       1.694400      0.2907000    
 C    2.980600      0.4243000      7.7000000E-03
 C   -3.895300      2.3399999E-02 -0.6184000    
 C   -3.846800       1.428300     -0.3979000    
 C    4.313700      0.2844000      0.7455000    
 C    5.497100      0.4175000     -0.2182000    
 C   -2.338500      -1.910500     -3.0300001E-02
 C   -2.285200       2.986100      0.6757000    
 C   -4.700400       2.502400     -0.7189000    
 C   -4.974600     -0.7078000      -1.317200    
 C    6.845100      0.2550000      0.4847000    
 C   -3.147600       4.035700      0.3463000    
 C   -4.337000       3.800000     -0.3403000    
 C   -1.562000      -2.445200      -1.047100    
 C   -2.700900      -2.730100       1.021400    
 C   -1.173200      -3.778600     -0.9818000    
 C    8.026500      0.3764000     -0.4522000    
 C   -1.585600      -4.521500      0.1126000    
 H  -0.7550000     -0.6310000       1.678200    
 H  -0.6960000       1.092900       1.940800    
 H   0.4292000       1.387900     -0.3101000    
 H   0.4127000     -0.3504000     -0.5370000    
 H    1.863900       1.121100       1.723400    
 H    1.838100     -0.6313000       1.509200    
 H    2.900800     -0.3592000     -0.7557000    
 H    2.947100       1.388600     -0.5137000    
 H    4.388500       1.053600       1.523500    
 H    4.356100     -0.6898000       1.247100    
 H    5.460000       1.396300     -0.7128000    
 H    5.409200     -0.3353000      -1.011700    
 H   -1.359900       3.183600       1.205900    
 H   -5.632200       2.339100      -1.252700    
 H   -5.649200     -3.2000002E-02  -1.851300    
 H   -4.561800      -1.404100      -2.054800    
 H   -5.571600      -1.281100     -0.6004000    
 H    6.946700       1.025900       1.256900    
 H    6.895300     -0.7304000      0.9611000    
 H   -2.884400       5.051700      0.6297000    
 H   -4.991300       4.632400     -0.5854000    
 H   -1.253700      -1.841700      -1.896800    
 H   -3.307500      -2.367100       1.845900    
 H  -0.5668000      -4.222300      -1.763000    
 H   -1.309000      -5.566100      0.2107000    
 H    9.974900      0.3932000     -0.3775000    


%chk=000119553-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000119553

0 1
O 9.332586 0.539104 0.237266
O 8.081887 0.986774 -1.666420
N -2.039325 0.368942 0.656804
N -2.041881 -4.047876 1.365439
C -0.718032 0.189202 1.285829
C 0.459320 0.437666 0.312306
C 1.829904 0.276068 1.005616
C -2.764191 -0.604172 -0.087816
C -2.606189 1.625425 0.402652
C 3.018056 0.521835 0.048627
C -3.807083 0.025640 -0.789834
C -3.724365 1.438476 -0.483114
C 4.393461 0.360839 0.733844
C 5.574394 0.613270 -0.228684
C -2.455369 -2.044295 -0.012648
C -2.230855 2.904504 0.873663
C -4.498004 2.563679 -0.873512
C -4.872830 -0.624283 -1.634476
C 6.937253 0.448548 0.469749
C -3.011269 4.005515 0.466042
C -4.135631 3.837896 -0.396876
C -2.323060 -2.836677 -1.186417
C -2.316234 -2.719369 1.236744
C -2.057770 -4.217723 -1.071314
C 8.115790 0.690732 -0.452393
C -1.912829 -4.779850 0.217640
H -0.646653 -0.833312 1.692572
H -0.650650 0.882014 2.145932
H 0.372389 1.454863 -0.117103
H 0.381338 -0.274387 -0.533054
H 1.898544 0.980952 1.861166
H 1.910541 -0.744631 1.434717
H 2.950258 -0.180724 -0.807556
H 2.938460 1.542320 -0.379862
H 4.457847 1.061386 1.593011
H 4.472111 -0.661822 1.158987
H 5.500973 1.631901 -0.655545
H 5.515254 -0.081981 -1.087913
H -1.372127 3.047295 1.538348
H -5.359913 2.443539 -1.539580
H -4.752306 -0.378050 -2.707854
H -4.857819 -1.723131 -1.538115
H -5.880023 -0.276556 -1.336127
H 7.032058 1.141443 1.329063
H 7.046233 -0.568036 0.896876
H -2.751004 5.009481 0.819918
H -4.719765 4.717282 -0.690219
H -2.411158 -2.363960 -2.170356
H -2.460921 -2.173108 2.176824
H -1.951857 -4.846727 -1.960863
H -1.691425 -5.844703 0.350770
H 10.085880 0.703183 -0.393255


