%chk=000115678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115678

0 1
 O    3.660500      -3.039300     -0.9299000    
 O  -0.2389000       2.615500      -1.342500    
 O   0.1823000       4.480300     -0.1232000    
 N  -0.6120000     -0.4429000       1.319100    
 N    2.882800       3.962000     -0.3821000    
 C    1.163100      0.8390000      0.9545000    
 C    1.470400     -0.4806000      0.5194000    
 C   0.3400000      -1.264900      0.7595000    
 C    2.056400       2.013800      0.8972000    
 C  -0.1239000      0.8305000       1.441000    
 C   -1.939900     -0.8495000       1.725700    
 C    1.954100       2.829000     -0.4128000    
 C    2.605100      -1.084800     -5.7200000E-02
 C   0.2876000      -2.628700      0.4503000    
 C   -2.929400     -0.6955000      0.6025000    
 C    2.567000      -2.448100     -0.3718000    
 C    1.425100      -3.206200     -0.1209000    
 C   0.5606000       3.410300     -0.5836000    
 C   -3.144400      -1.754000     -0.2698000    
 C   -3.614600      0.5027000      0.4537000    
 C   -4.061800      -1.611400      -1.310700    
 C   -4.532100      0.6451000     -0.5873000    
 C   -4.755600     -0.4120000      -1.469500    
 C    4.797500      -2.210300      -1.161800    
 H    3.095500       1.689200       1.040800    
 H    1.830800       2.668900       1.751000    
 H  -0.7279000       1.623400       1.862300    
 H   -2.232300     -0.2380000       2.588700    
 H   -1.902300      -1.882800       2.089100    
 H    2.192200       2.204200      -1.281600    
 H    3.464300     -0.4491000     -0.2321000    
 H  -0.5837000      -3.238100      0.6581000    
 H    1.413000      -4.265600     -0.3666000    
 H    2.868300       4.439500      -1.282800    
 H    3.834500       3.618100     -0.2591000    
 H   -2.629400      -2.701000     -0.1533000    
 H   -3.448400       1.332900       1.134500    
 H   -4.239100      -2.435800      -1.995300    
 H   -5.072400       1.579100     -0.7111000    
 H   -5.470600     -0.3013000      -2.279500    
 H   -1.134900       2.998500      -1.454700    
 H    5.572100      -2.842500      -1.608300    
 H    5.208200      -1.817700     -0.2253000    
 H    4.578000      -1.417600      -1.885100    


%chk=000115678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115678

0 1
O 3.884198 -3.285139 -0.634934
O -0.270807 2.131975 -1.858772
O -0.238207 3.858223 -0.303865
N -0.553542 -0.556161 1.415747
N 2.728866 3.781924 -0.952236
C 1.238429 0.795646 0.932011
C 1.593786 -0.572762 0.604224
C 0.455140 -1.396183 0.907373
C 2.065779 2.029449 0.679515
C -0.069708 0.759528 1.419557
C -1.936732 -0.936939 1.717317
C 1.860555 2.609674 -0.757313
C 2.777123 -1.165225 0.081201
C 0.473502 -2.794428 0.695646
C -2.948596 -0.479063 0.660723
C 2.786778 -2.559253 -0.124770
C 1.646137 -3.366417 0.177527
C 0.367851 2.950690 -0.921029
C -2.579302 -0.357988 -0.702463
C -4.283400 -0.196108 1.040113
C -3.534743 0.030879 -1.668729
C -5.240040 0.192217 0.074445
C -4.868790 0.305650 -1.284853
C 5.087673 -2.524999 -0.964716
H 3.146603 1.823825 0.781125
H 1.811180 2.827578 1.403449
H -0.699624 1.582844 1.754333
H -2.223149 -0.527827 2.704961
H -1.967859 -2.038129 1.814339
H 2.121068 1.839214 -1.501622
H 3.648618 -0.543654 -0.145289
H -0.390925 -3.428877 0.918952
H 1.717175 -4.442249 -0.007889
H 2.800835 4.096088 -1.925646
H 2.500873 4.556442 -0.317649
H -1.546457 -0.563165 -1.005243
H -4.577434 -0.274100 2.094860
H -3.241661 0.105136 -2.722737
H -6.268612 0.410936 0.382538
H -5.608608 0.606400 -2.035001
H -1.247334 2.336569 -1.874114
H 5.807701 -3.267763 -1.339279
H 5.504663 -2.019590 -0.070776
H 4.886797 -1.770569 -1.751531


