%chk=000040799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040799

0 1
 O   -1.354500      -1.871600      -1.604400    
 O   -1.689900       1.511500      0.4982000    
 N    2.971600       2.140400     -0.2103000    
 N  -0.3369000     -0.6752000      8.5299999E-02
 C    2.072300     -0.1358000      0.2269000    
 C    3.483600     -0.7283000      3.7500001E-02
 C   0.9977000      -1.180100     -0.1441000    
 C    3.662300      -2.006700      0.8610000    
 C    4.539000      0.3222000      0.3936000    
 C    1.940700       1.162800     -0.5950000    
 C    1.192100      -2.480100      0.6461000    
 C    2.602000      -3.042200      0.4980000    
 C    4.324000       1.605100     -0.4115000    
 C    2.799200       3.386800     -0.9565000    
 C   -1.453400      -1.064900     -0.6803000    
 C   -2.749600     -0.4850000     -0.3043000    
 C   -2.815400      0.7780000      0.2688000    
 C   -3.902100      -1.225500     -0.5326000    
 C   -4.056100       1.310300      0.6198000    
 C   -5.142700     -0.6931000     -0.1814000    
 C   -5.219600      0.5747000      0.3948000    
 C   -1.864300       2.796700       1.091000    
 H    1.940900      0.1269000       1.287900    
 H    3.613700     -0.9899000      -1.022900    
 H    1.088600      -1.412600      -1.213400    
 H    3.597400      -1.777400       1.932100    
 H    4.657900      -2.430800      0.6851000    
 H    5.542300     -7.0100002E-02  0.1893000    
 H    4.498000      0.5503000       1.466600    
 H    2.001200      0.9355000      -1.667900    
 H   0.9541000       1.603100     -0.4127000    
 H   0.4665000      -3.234200      0.3171000    
 H   0.9860000      -2.300400       1.709700    
 H    2.754800      -3.375300     -0.5360000    
 H    2.715600      -3.925000       1.137200    
 H    5.067000       2.341900     -8.2999997E-02
 H    4.511000       1.406500      -1.475200    
 H  -0.4751000     -7.4100003E-02  0.8919000    
 H    3.533500       4.133300     -0.6341000    
 H    1.810200       3.817300     -0.7634000    
 H    2.906900       3.240500      -2.037400    
 H   -3.861600      -2.216700     -0.9760000    
 H   -4.194600       2.286500       1.071100    
 H   -6.048700      -1.266300     -0.3554000    
 H   -6.186200      0.9879000      0.6682000    
 H   -2.289200       2.723200       2.097800    
 H   -2.438200       3.466900      0.4419000    
 H  -0.8677000       3.237700       1.199300    


%chk=000040799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040799

0 1
O -1.352894 -2.117904 -1.297321
O -1.834496 1.342729 1.145439
N 3.031393 2.111838 -0.520169
N -0.305036 -0.589934 0.103833
C 2.129463 -0.114263 0.166788
C 3.546388 -0.737296 0.026518
C 1.034339 -1.183746 -0.071805
C 3.727630 -1.954383 0.963422
C 4.614433 0.355128 0.258416
C 1.993899 1.089881 -0.793562
C 1.223806 -2.406184 0.867850
C 2.634140 -3.018735 0.719586
C 4.398390 1.559243 -0.678137
C 2.831324 3.332356 -1.325031
C -1.417796 -1.103462 -0.522735
C -2.745629 -0.415570 -0.263604
C -2.963455 0.753972 0.529085
C -3.874121 -1.007605 -0.884011
C -4.262786 1.294587 0.682758
C -5.171865 -0.479439 -0.737558
C -5.363438 0.676768 0.050327
C -2.018188 2.559734 1.941743
H 2.032355 0.272011 1.206121
H 3.644553 -1.097650 -1.023434
H 1.090895 -1.548244 -1.117628
H 3.679206 -1.610807 2.018571
H 4.735019 -2.392290 0.815622
H 5.627436 -0.062908 0.094414
H 4.562432 0.702535 1.309378
H 2.053537 0.713038 -1.851156
H 1.001851 1.564574 -0.677838
H 0.443247 -3.152504 0.634231
H 1.068637 -2.076122 1.915817
H 2.747743 -3.436663 -0.301865
H 2.753834 -3.863911 1.424346
H 5.126293 2.360369 -0.447770
H 4.583174 1.237211 -1.739087
H -0.438101 0.219661 0.722350
H 3.580492 4.093558 -1.040964
H 1.826593 3.748649 -1.129077
H 2.920118 3.155875 -2.427816
H -3.678777 -1.899906 -1.488484
H -4.426588 2.189738 1.289268
H -6.021958 -0.961959 -1.230118
H -6.364814 1.103144 0.176915
H -2.677302 2.371693 2.809969
H -2.430853 3.379352 1.324159
H -1.010223 2.828540 2.290646


