%chk=000104061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104061

0 1
 O   -2.106300      0.8117000       1.504800    
 O   0.3820000      -2.180100       1.513400    
 O    1.763400       1.375400       1.498700    
 O   -5.585700      0.1814000      -1.239200    
 O    2.600900      -4.897900      -1.265800    
 O    2.984200       4.716000      -1.218700    
 N  -2.0000000E-02  1.5600000E-02 -0.1021000    
 N   -3.237200       1.585400     -0.3704000    
 N   0.2308000      -3.565000     -0.3448000    
 N    2.987700       1.969300     -0.3834000    
 C  -0.8924000       1.085000     -0.5657000    
 C  -0.5211000      -1.288500     -0.5421000    
 C    1.348900      0.2195000     -0.5816000    
 C   -2.122800       1.127000      0.3171000    
 C   8.5400000E-02  -2.364500      0.3350000    
 C    2.028600       1.241700      0.3061000    
 C   -4.535600       1.749000      0.2435000    
 C   0.7591000      -4.763600      0.2666000    
 C    3.803700       2.990400      0.2338000    
 C   -5.368000      0.4847000      0.1326000    
 C    2.266900      -4.848800      0.1153000    
 C    3.147600       4.356400      0.1471000    
 H   -1.157800      0.9660000      -1.623400    
 H  -0.4224000       2.070500     -0.4549000    
 H  -0.3113000      -1.465600      -1.604200    
 H   -1.605800      -1.376900     -0.4025000    
 H    1.956000     -0.6901000     -0.4897000    
 H    1.369100      0.5195000      -1.636500    
 H   -3.152100       1.824000      -1.354100    
 H  -4.4900000E-02  -3.621000      -1.320800    
 H    3.137000       1.785600      -1.371200    
 H   -5.025600       2.575200     -0.2822000    
 H   -4.406000       2.026700       1.294400    
 H   0.2773000      -5.607600     -0.2378000    
 H   0.4828000      -4.780900       1.325700    
 H    4.758100       2.991300     -0.3028000    
 H    3.986800       2.723500       1.279500    
 H   -4.859400     -0.3658000      0.5982000    
 H   -6.339800      0.6264000      0.6153000    
 H    2.758800      -3.977100      0.5590000    
 H    2.646300      -5.755300      0.5967000    
 H    2.162100       4.352700      0.6240000    
 H    3.775100       5.110500      0.6320000    
 H   -6.123800     -0.6279000      -1.270200    
 H    3.569800      -4.956200      -1.322800    
 H    2.567000       5.594300      -1.234100    


%chk=000104061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104061

0 1
O -2.138488 -1.625522 -1.034448
O 2.480133 -1.038148 -1.085620
O -0.340411 2.659165 -1.032430
O -3.822543 2.403295 1.342744
O -0.159426 -4.471315 1.361138
O 4.002436 2.042822 1.321834
N -0.019940 0.005427 -2.821360
N -2.264079 0.601182 -0.341347
N 0.612430 -2.241708 -0.367620
N 1.655074 1.642269 -0.370083
C -1.478685 0.101687 -2.650431
C 0.628994 -1.308137 -2.676061
C 0.794666 1.221723 -2.668203
C -1.998539 -0.371104 -1.271071
C 1.316239 -1.533741 -1.307739
C 0.668934 1.906949 -1.285790
C -2.744307 0.282524 1.009550
C 1.139338 -2.485862 0.981473
C 1.628382 2.199123 0.988652
C -4.085031 0.953371 1.315462
C 1.228395 -3.978491 1.305437
C 2.888128 3.007121 1.305460
H -1.978451 -0.549846 -3.394248
H -1.772083 1.148839 -2.840337
H 1.433092 -1.405627 -3.431886
H -0.133149 -2.084307 -2.864574
H 1.844924 0.954348 -2.878937
H 0.464157 1.978887 -3.406320
H -1.988521 1.574314 -0.545092
H -0.371599 -2.485442 -0.559975
H 2.352662 0.913336 -0.586453
H -2.006450 0.619204 1.763704
H -2.842135 -0.815190 1.074232
H 0.486163 -2.005225 1.735932
H 2.140277 -2.022707 1.032272
H 1.542674 1.381704 1.731231
H 0.733176 2.840834 1.063662
H -4.824870 0.690512 0.531592
H -4.455369 0.600384 2.301630
H 1.812038 -4.500326 0.519392
H 1.733985 -4.111157 2.285801
H 3.039155 3.787717 0.531604
H 2.772035 3.493092 2.297757
H -4.674855 2.901323 1.407938
H -0.166300 -5.457547 1.438902
H 4.865146 2.522149 1.390427


