%chk=000155720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155720

0 1
 O   -3.641400      0.8536000      -1.973800    
 N    4.641200     -0.8962000     -0.2734000    
 C   -2.744300      0.9640000     -0.8591000    
 C   -1.467800       1.618600      -1.400700    
 C   -2.656000     -0.4043000     -0.1921000    
 C  -0.4866000       1.972800     -0.3161000    
 C  -0.1169000     -0.4543000      5.4099999E-02
 C   -1.466200      -1.058500      0.2037000    
 C   0.1796000      0.9543000      0.3837000    
 C   0.8839000      -1.180200     -0.4804000    
 C    2.250700     -0.6368000     -0.7492000    
 C   -3.888500      -1.041100      8.7700002E-02
 C  -0.2245000       3.312100      2.6000000E-03
 C   -1.554800      -2.315400      0.8437000    
 C    1.095400       1.285400       1.392800    
 C    3.313100      -1.425800      1.5000000E-02
 C   -3.953200      -2.287700      0.7086000    
 C   -2.783400      -2.927200       1.085000    
 C   0.6898000       3.633700       1.005900    
 C    1.348900       2.621900       1.700100    
 C    4.918200     -0.9551000      -1.709600    
 C    5.662800      -1.633600      0.4716000    
 H   -3.211400       1.642600     -0.1323000    
 H   -1.738500       2.526200      -1.957700    
 H  -0.9860000      0.9771000      -2.151300    
 H   0.7147000      -2.210300     -0.7881000    
 H    2.384100      0.4361000     -0.5989000    
 H    2.379300     -0.7821000      -1.829700    
 H   -4.826000     -0.5559000     -0.1791000    
 H  -0.7311000       4.114300     -0.5279000    
 H  -0.6574000      -2.830400       1.183100    
 H    1.605100      0.5112000       1.961300    
 H    3.113600      -1.340300       1.090900    
 H    3.248900      -2.492800     -0.2397000    
 H   -4.916300      -2.749500      0.9034000    
 H   -2.822900      -3.893400       1.578800    
 H   0.8863000       4.674300       1.247000    
 H   -3.836500       1.754100      -2.284700    
 H    2.056600       2.873400       2.484600    
 H    4.349800     -0.2043000      -2.267100    
 H    4.726900      -1.947400      -2.134300    
 H    5.969600     -0.7098000      -1.904400    
 H    5.474300      -1.569800       1.549200    
 H    6.653700      -1.197700      0.3023000    
 H    5.697700      -2.692100      0.1891000    


%chk=000155720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155720

0 1
O -3.941554 0.891480 -1.785973
N 4.755640 -1.087240 -0.327814
C -2.888854 1.051198 -0.748151
C -1.641972 1.725659 -1.367993
C -2.697061 -0.338288 -0.130813
C -0.620923 2.104307 -0.313314
C -0.088965 -0.353945 -0.104081
C -1.441489 -0.967263 0.142870
C 0.131431 1.070778 0.309938
C 0.911354 -1.113389 -0.654301
C 2.333155 -0.689460 -0.947149
C -3.897736 -1.031653 0.177393
C -0.414593 3.449007 0.075737
C -1.457779 -2.268832 0.728626
C 1.074358 1.406407 1.313269
C 3.358811 -1.551750 -0.163120
C -3.892128 -2.320377 0.743967
C -2.655959 -2.946128 1.022286
C 0.526772 3.777804 1.077865
C 1.272936 2.750829 1.699333
C 5.267143 -1.230204 -1.705739
C 5.660380 -1.715356 0.657063
H -3.276910 1.731380 0.045451
H -1.977558 2.635195 -1.904247
H -1.207358 1.039244 -2.118877
H 0.657375 -2.142283 -0.952985
H 2.502492 0.371317 -0.697796
H 2.516343 -0.807818 -2.034824
H -4.846803 -0.546611 -0.070232
H -0.989101 4.244364 -0.415420
H -0.499375 -2.734718 0.981979
H 1.643751 0.605666 1.798451
H 3.113318 -1.492206 0.914843
H 3.240558 -2.628138 -0.463398
H -4.837036 -2.827144 0.968750
H -2.624965 -3.942605 1.477146
H 0.677684 4.823124 1.369702
H -4.168962 1.791102 -2.136232
H 2.004302 2.993822 2.477995
H 4.659388 -0.634370 -2.407212
H 5.273746 -2.292285 -2.064997
H 6.302289 -0.847551 -1.752924
H 5.293178 -1.516948 1.680013
H 6.670664 -1.277185 0.566281
H 5.754514 -2.825235 0.533233


