%chk=000056636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056636

0 1
 O   -1.922500      0.9872000      0.6727000    
 O   0.7614000       1.065200       1.083600    
 N    3.110600      5.5700000E-02  5.4800000E-02
 N  -0.4097000     -0.6496000     -2.2000000E-02
 N   -3.282400       1.271400      0.6407000    
 C    1.958500     -0.8327000      0.2033000    
 C    2.896500      0.9901000      -1.049600    
 C    4.330500     -0.7213000     -0.1623000    
 C   0.7156000     -6.6000000E-03  0.4889000    
 C    4.084600       1.921700      -1.218800    
 C    4.601900      -1.654600       1.005500    
 C   -1.726500     -0.1881000      5.1700000E-02
 C   -2.883800     -0.7151000     -0.3995000    
 C   -3.835800      0.2407000     -4.6000001E-03
 C   -3.106400      -1.977100      -1.124000    
 C   -5.292400      0.2132000     -0.2204000    
 H    1.820700      -1.455000     -0.6898000    
 H    2.054700      -1.492700       1.072100    
 H    2.717800      0.4608000      -1.994900    
 H    2.027800       1.633200     -0.8787000    
 H    4.291000      -1.296500      -1.095900    
 H    5.206700     -6.7199998E-02 -0.2146000    
 H    4.398800       2.359100     -0.2648000    
 H    4.942000       1.429900      -1.688800    
 H    3.806200       2.751100      -1.879200    
 H    4.523400      -1.135700       1.967000    
 H    3.933600      -2.521000       1.013000    
 H    5.621700      -2.049100      0.9305000    
 H  -0.2956000      -1.544600     -0.4912000    
 H   -2.280000      -2.191800      -1.809500    
 H   -3.190900      -2.810900     -0.4196000    
 H   -4.024100      -1.941600      -1.719700    
 H   -5.718000     -0.7309000      0.1351000    
 H   -5.799000       1.026100      0.3107000    
 H   -5.523200      0.3136000      -1.285900    


%chk=000056636-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056636

0 1
O -2.490255 -2.188498 1.051014
O 0.351009 0.777735 0.074284
N 3.047196 -0.272380 -0.270904
N -0.426771 -1.422748 0.276062
N -3.931230 -1.889232 0.986449
C 1.996048 -1.068146 0.359382
C 2.941714 -0.228077 -1.753508
C 4.407395 -0.595922 0.229427
C 0.587095 -0.449546 0.207562
C 3.613420 1.015540 -2.365068
C 4.649756 -0.141610 1.681863
C -1.810616 -1.206642 0.306396
C -2.709806 -0.293118 -0.231095
C -4.000270 -0.763043 0.236460
C -2.487719 0.873856 -1.155986
C -5.343769 -0.148046 -0.038552
H 1.963707 -2.131935 -0.008991
H 2.195814 -1.123042 1.446988
H 3.357522 -1.158331 -2.219816
H 1.867030 -0.194210 -2.009041
H 4.632880 -1.690168 0.131541
H 5.127392 -0.070780 -0.422166
H 3.176947 1.926836 -1.922758
H 4.704374 1.033867 -2.191354
H 3.451965 1.036995 -3.458851
H 4.424154 0.933726 1.782903
H 4.026881 -0.692674 2.410240
H 5.705693 -0.311731 1.961983
H -0.136941 -2.393388 0.433210
H -1.531628 1.372535 -0.932504
H -2.464412 0.548943 -2.214613
H -3.305277 1.609133 -1.056164
H -5.536375 -0.083771 -1.124747
H -6.140425 -0.752238 0.424678
H -5.398798 0.877010 0.371476


