%chk=000145139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145139

0 1
 O    2.996100      0.5175000     -0.8296000    
 O    1.253600      -3.166300     -0.7977000    
 N   -2.546200      0.2167000     -0.7608000    
 N   -2.960100      0.1992000      0.4224000    
 C    3.613800       1.197500      0.2610000    
 C    1.636200      0.4278000     -0.8125000    
 C    4.987500      0.6330000      0.4751000    
 C    1.000800     -0.8138000     -0.8007000    
 C   0.8786000       1.599000     -0.8069000    
 C   -1.149700      0.2869000     -0.7776000    
 C  -0.3922000     -0.8843000     -0.7833000    
 C  -0.5144000       1.528600     -0.7893000    
 C    5.163300     -0.4415000       1.339900    
 C    6.072500       1.189800     -0.1927000    
 C   -7.142600     -1.0500000E-02  0.4761000    
 C   -4.363600      0.1289000      0.4397000    
 C    6.440300     -0.9659000       1.539500    
 C    7.349500      0.6653000      6.6999998E-03
 C   -6.385700      -1.182000      0.4698000    
 C   -6.506500       1.230900      0.4642000    
 C   -4.992600      -1.112100      0.4515000    
 C   -5.113600       1.300700      0.4460000    
 C    7.533400     -0.4126000      0.8728000    
 C    1.773600      -2.048400     -0.8072000    
 C   -8.632000     -8.4399998E-02  0.4938000    
 H    3.023600       1.093500       1.181800    
 H    3.674700       2.268400      3.0999999E-02
 H    1.358600       2.573600     -0.8251000    
 H  -0.9021000      -1.845200     -0.7752000    
 H   -1.096000       2.446800     -0.7877000    
 H    4.318200     -0.8819000       1.861800    
 H    5.940400       2.028100     -0.8712000    
 H    6.583400      -1.805700       2.213100    
 H    8.200700       1.095700     -0.5128000    
 H   -6.869500      -2.155200      0.4806000    
 H   -7.085400       2.150800      0.4708000    
 H   -4.410400      -2.029700      0.4481000    
 H   -4.626000       2.271900      0.4381000    
 H    8.527700     -0.8211000       1.027700    
 H    2.872100      -1.958000     -0.8229000    
 H   -9.076000      0.7682000     -3.1099999E-02
 H   -8.989100     -0.9903000     -7.8999996E-03
 H   -8.995500     -8.9199997E-02   1.526100    


%chk=000145139-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145139

0 1
O 3.059868 0.004180 0.190879
O 0.804483 -2.821343 2.056293
N -2.556554 0.565360 -0.253886
N -3.301364 -0.332553 0.341922
C 3.959397 1.014510 -0.444616
C 1.682441 0.177196 0.058977
C 5.382563 0.625480 -0.130556
C 0.859946 -0.807385 0.705797
C 1.080892 1.242637 -0.660279
C -1.149254 0.360158 -0.099484
C -0.543672 -0.703068 0.618155
C -0.321067 1.324653 -0.733469
C 5.966206 0.990290 1.108920
C 6.149655 -0.113318 -1.065017
C -7.553390 0.044579 0.038724
C -4.710104 -0.136774 0.192355
C 7.294675 0.619999 1.411211
C 7.480376 -0.482865 -0.766758
C -6.721240 1.006363 -0.603153
C -6.931397 -1.006127 0.763344
C -5.320377 0.925210 -0.534985
C -5.527982 -1.099777 0.839793
C 8.054988 -0.116352 0.472235
C 1.475646 -1.929892 1.464860
C -9.064157 0.128686 -0.070879
H 3.707806 2.009947 -0.028638
H 3.770103 1.016804 -1.535619
H 1.688041 2.001250 -1.160655
H -1.163452 -1.457124 1.114223
H -0.807332 2.137613 -1.282968
H 5.376451 1.558503 1.838317
H 5.703266 -0.403567 -2.023908
H 7.736702 0.904820 2.372122
H 8.065844 -1.053592 -1.495722
H -7.189627 1.826972 -1.160647
H -7.553438 -1.753138 1.270374
H -4.679131 1.663514 -1.026088
H -5.036863 -1.904702 1.396618
H 9.086993 -0.401825 0.704509
H 2.587577 -1.942750 1.485195
H -9.560409 -0.299651 0.817474
H -9.405685 1.172283 -0.186727
H -9.428023 -0.434505 -0.952844


