%chk=000041249.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041249

0 1
 N   -2.817200      0.5377000     -0.5527000    
 N   0.7551000     -0.1099000      0.3242000    
 C   -1.610100     -0.2478000     -0.3304000    
 C  -0.4553000      0.6589000      6.9300003E-02
 C   0.7113000      -1.105700       1.395800    
 C   -3.195000       1.259600      0.6639000    
 C   -3.917700     -0.3210000     -0.9951000    
 C    1.051500      -2.500100      0.8890000    
 C    2.523900      -2.663200      0.5239000    
 C    2.003600      0.4555000      4.8900001E-02
 C    2.941800      -1.816000     -0.6735000    
 C    3.094300     -0.3413000     -0.3714000    
 C   -3.460600      0.2772000       1.801000    
 C   -4.423900       2.118600      0.3836000    
 C   -4.218700      -1.381100      6.0600001E-02
 C   -3.555000     -0.9642000      -2.329800    
 C    2.220700       1.842200      0.1917000    
 C    4.347500      0.2558000     -0.6094000    
 C    3.469000       2.419700     -4.6900000E-02
 C    4.534800       1.625000     -0.4428000    
 H   -1.286300     -0.7022000      -1.275200    
 H   -1.693800      -1.086500      0.3545000    
 H  -0.6465000       1.223500      0.9853000    
 H  -0.2947000       1.381400     -0.7426000    
 H  -0.2756000      -1.135300       1.870700    
 H    1.395100     -0.8205000       2.207500    
 H   -2.424800       1.979100      0.9537000    
 H   -4.823500      0.2553000      -1.208300    
 H   0.4213000      -2.757100      2.8800000E-02
 H   0.8158000      -3.222600       1.679900    
 H    2.690500      -3.718200      0.2730000    
 H    3.156400      -2.441800       1.392400    
 H    2.232400      -1.936700      -1.502100    
 H    3.897100      -2.211600      -1.041900    
 H   -3.219100      0.8572000       2.709500    
 H   -4.510500      5.8200002E-02   2.005200    
 H   -2.792800     -0.5716000       1.942900    
 H   -4.308200       2.701700     -0.5373000    
 H   -4.557500       2.839600       1.199600    
 H   -5.359000       1.552300      0.3282000    
 H   -4.671100      -2.225600     -0.4878000    
 H   -3.410400      -1.898800      0.5736000    
 H   -5.059100      -1.124400      0.7073000    
 H   -3.165800     -0.2263000      -3.040700    
 H   -4.451500      -1.401200      -2.786600    
 H   -2.830200      -1.779800      -2.235500    
 H    1.418100       2.498100      0.5231000    
 H    5.189600     -0.3472000     -0.9418000    
 H    3.605500       3.489300      8.2800001E-02
 H    5.507400       2.069200     -0.6310000    


%chk=000041249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041249

0 1
N -2.919240 0.282551 -0.041639
N 0.843725 -0.135751 0.389308
C -1.636477 -0.435253 0.076482
C -0.439769 0.554343 0.133993
C 1.011331 -0.677179 1.767092
C -3.505728 0.738915 1.247793
C -3.835697 -0.118309 -1.143327
C 1.400730 -2.169588 1.842365
C 2.817844 -2.458699 1.308157
C 2.024769 0.333121 -0.263740
C 3.003390 -2.056326 -0.180552
C 3.120732 -0.567403 -0.475496
C -4.378838 -0.320821 1.984098
C -4.278017 2.070161 1.089098
C -4.182137 -1.636921 -1.203258
C -3.282730 0.358305 -2.509413
C 2.141825 1.682086 -0.705678
C 4.300546 -0.066957 -1.078462
C 3.319829 2.148111 -1.325800
C 4.417027 1.276185 -1.503029
H -1.484842 -1.091083 -0.799186
H -1.615725 -1.105535 0.967898
H -0.653116 1.341125 0.895851
H -0.388231 1.059404 -0.844668
H 0.052408 -0.532175 2.298799
H 1.773696 -0.078328 2.312983
H -2.634176 0.951542 1.900861
H -4.782590 0.427571 -0.964820
H 0.658784 -2.758020 1.266603
H 1.329983 -2.495165 2.900715
H 3.022723 -3.543293 1.407515
H 3.570107 -1.932603 1.929878
H 2.136299 -2.460060 -0.745337
H 3.906973 -2.560149 -0.572569
H -4.638160 0.028915 3.001372
H -5.324989 -0.502633 1.441619
H -3.842577 -1.283214 2.080144
H -3.638634 2.824376 0.598460
H -4.592988 2.455073 2.076921
H -5.191547 1.942646 0.478888
H -4.926609 -1.826738 -1.999570
H -3.287856 -2.244486 -1.437334
H -4.600755 -1.996694 -0.247978
H -3.116222 1.449187 -2.494306
H -3.985735 0.114365 -3.328247
H -2.317854 -0.131783 -2.740380
H 1.315791 2.380601 -0.536176
H 5.135832 -0.759340 -1.244829
H 3.385012 3.193261 -1.650296
H 5.340682 1.630061 -1.973703


