%chk=000147924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147924

0 1
 O    3.126600      -1.238500      0.2538000    
 O   -3.126700       1.238700      0.2538000    
 N    3.927200      0.9459000       1.843700    
 N   -3.927200     -0.9456000       1.844000    
 N    9.372300     -6.7699999E-02 -0.8285000    
 N   -9.372200      6.7299999E-02 -0.8287000    
 N    8.834300       1.570800      0.7484000    
 N   -8.834300      -1.571000      0.7484000    
 C   0.7569000     -0.1100000     -0.9564000    
 C  -0.7567000      0.1104000     -0.9560000    
 C    1.101800      -1.597500     -0.9733000    
 C   -1.101800       1.597900     -0.9730000    
 C    2.606200      -1.825900     -0.9307000    
 C   -2.606300       1.826000     -0.9307000    
 C    4.421000     -0.7900000      0.2046000    
 C   -4.421000      0.7900000      0.2047000    
 C    4.835400      0.2898000      0.9843000    
 C   -4.835400     -0.2898000      0.9845000    
 C    5.328400      -1.429100     -0.6403000    
 C   -5.328500       1.429000     -0.6404000    
 C    6.157100      0.7305000      0.9192000    
 C   -6.157100     -0.7305000      0.9193000    
 C    7.064500      9.1499999E-02  7.4299999E-02
 C   -7.064500     -9.1600001E-02  7.4199997E-02
 C    6.650100     -0.9883000     -0.7054000    
 C   -6.650100      0.9882000     -0.7055000    
 C    8.442900      0.5505000      5.9000002E-03
 C   -8.442800     -0.5508000      5.9000002E-03
 H    1.184800      0.3708000     -6.8899997E-02
 H    1.200300      0.3783000      -1.832700    
 H   -1.200600     -0.3781000      -1.832000    
 H   -1.184200     -0.3702000     -6.8099998E-02
 H   0.6843000      -2.072600      -1.868300    
 H   0.6427000      -2.076400     -9.9600002E-02
 H  -0.6842000       2.072900      -1.868100    
 H  -0.6429000       2.077000     -9.9399999E-02
 H    3.037300      -1.381500      -1.837300    
 H    2.811400      -2.902400     -0.9210000    
 H   -2.811700       2.902400     -0.9213000    
 H   -3.037200       1.381200      -1.837300    
 H    5.057800      -2.292200      -1.241300    
 H   -5.058000       2.291900      -1.241500    
 H    6.460000       1.574100       1.535100    
 H   -6.460100      -1.574000       1.535200    
 H    7.315800      -1.524600      -1.372700    
 H   -7.315700       1.524400      -1.372900    
 H    2.967000      0.6320000       1.893500    
 H    4.233800       1.728700       2.405500    
 H   -2.966900     -0.6319000       1.893500    
 H   -4.233700      -1.728700       2.405600    
 H    9.157300     -0.8535000      -1.429400    
 H    10.33010      0.2660000     -0.8608000    
 H   -9.157200      0.8529000      -1.429700    
 H   -10.33000     -0.2664000     -0.8611000    
 H    9.829000       1.740900      0.5634000    
 H   -9.829100      -1.741200      0.5633000    


%chk=000147924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147924

0 1
O 3.366948 -0.743383 -0.364833
O -3.366933 0.743290 -0.365040
N 4.026460 0.402085 1.958716
N -4.026515 -0.401658 1.958748
N 9.806503 0.220541 -0.124937
N -9.806473 -0.220474 -0.125094
N 9.154874 0.379247 2.199749
N -9.154969 -0.378535 2.199678
C 0.771770 0.024394 -1.665689
C -0.771727 -0.024798 -1.665671
C 1.412274 -1.380802 -1.647784
C -1.412225 1.380404 -1.648096
C 2.942876 -1.358006 -1.634925
C -2.942827 1.357625 -1.635260
C 4.750116 -0.570896 -0.147611
C -4.750109 0.570890 -0.147802
C 5.067921 0.048254 1.106339
C -5.067952 -0.047983 1.106277
C 5.770133 -0.958759 -1.035250
C -5.770100 0.958588 -1.035544
C 6.427023 0.274846 1.417667
C -6.427066 -0.274469 1.417630
C 7.459968 -0.099246 0.522988
C -7.459982 0.099470 0.522854
C 7.126883 -0.724852 -0.704276
C -7.126862 0.724789 -0.704545
C 8.876451 0.184004 0.922958
C -8.876485 -0.183639 0.922847
H 1.127767 0.594408 -0.785608
H 1.126270 0.577835 -2.560929
H -1.126243 -0.578453 -2.560772
H -1.127709 -0.594601 -0.785447
H 1.088514 -1.951227 -2.542457
H 1.056488 -1.945455 -0.763872
H -1.088446 1.950623 -2.542894
H -1.056450 1.945257 -0.764307
H 3.339544 -0.758340 -2.481532
H 3.359519 -2.384409 -1.698770
H -3.359457 2.384019 -1.699341
H -3.339488 0.757777 -2.481741
H 5.526506 -1.454795 -1.979518
H -5.526439 1.454406 -1.979918
H 6.720121 0.735517 2.366977
H -6.720192 -0.734920 2.367039
H 7.904667 -1.089086 -1.384041
H -7.904633 1.088891 -1.384395
H 3.070896 0.195478 1.683141
H 4.215651 0.819556 2.863915
H -3.070941 -0.195136 1.683144
H -4.215732 -0.818924 2.864035
H 9.505260 0.234485 -1.096383
H 10.795422 0.354341 0.073680
H -9.505163 -0.234722 -1.096516
H -10.795407 -0.354200 0.073500
H 10.156617 0.607536 2.370388
H -10.156717 -0.606792 2.370329


