%chk=000048839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048839

0 1
 O   -1.509700       1.098900     -0.4933000    
 O   -1.679200      -1.344700       1.024800    
 N    2.044700      0.4300000      0.1582000    
 N    4.686300     -0.5443000     -0.4986000    
 C   0.8439000       1.218900     -0.1091000    
 C    2.245600     -0.5833000     -0.8850000    
 C    3.224900       1.296300      0.2645000    
 C  -0.3634000      0.2956000     -0.1803000    
 C    3.505800      -1.410200     -0.6070000    
 C    4.484800      0.4695000      0.5439000    
 C   0.6582000       2.281900      0.9701000    
 C  -0.5878000     -0.4265000       1.141800    
 C    5.886300      -1.334000     -0.2296000    
 C   -2.683200      0.4141000     -0.3169000    
 C   -2.763300     -0.7758000      0.4097000    
 C   -3.830800      0.9607000     -0.8917000    
 C   -3.982800      -1.443400      0.5249000    
 C   -5.052700      0.2997000     -0.7644000    
 C   -5.127600     -0.9034000     -6.1799999E-02
 H   0.9277000       1.746900      -1.070000    
 H    2.315000     -0.1215000      -1.879100    
 H    1.437900      -1.319300     -0.9123000    
 H    3.139000       1.994600       1.103300    
 H    3.365000       1.888200     -0.6502000    
 H  -0.2950000     -0.4156000      -1.010600    
 H    3.366800      -1.998600      0.3104000    
 H    3.642800      -2.119700      -1.432200    
 H    5.345300       1.149200      0.5698000    
 H    4.407800      1.8000000E-03   1.535100    
 H  -0.3450000       2.721300      0.9420000    
 H   0.8132000       1.887800       1.981100    
 H    1.347400       3.122200      0.8290000    
 H   0.2826000      -1.017500       1.441900    
 H  -0.8289000      0.2593000       1.963100    
 H    6.771200     -0.6888000     -0.1946000    
 H    6.057600      -2.058700      -1.033400    
 H    5.820100      -1.880000      0.7184000    
 H   -3.779600       1.892800      -1.447800    
 H   -4.051700      -2.376200       1.077700    
 H   -5.946300      0.7200000      -1.216600    
 H   -6.079400      -1.418000      3.2299999E-02


%chk=000048839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048839

0 1
O -1.570524 1.028120 -0.516779
O -1.744397 -1.244657 1.316769
N 2.086829 0.451963 0.003655
N 4.787055 -0.537031 -0.449879
C 0.830515 1.251452 -0.170022
C 2.452984 -0.287956 -1.236548
C 3.277694 1.198626 0.488135
C -0.371846 0.280062 -0.049654
C 3.607036 -1.266196 -0.966651
C 4.430495 0.219513 0.771468
C 0.692339 2.431571 0.812606
C -0.633652 -0.264156 1.359270
C 5.955367 -1.415162 -0.254411
C -2.785452 0.341088 -0.285720
C -2.865107 -0.776681 0.592760
C -3.938455 0.788797 -0.962251
C -4.090648 -1.453599 0.759349
C -5.167195 0.117169 -0.782620
C -5.240616 -1.011432 0.070284
H 0.778113 1.676225 -1.203600
H 2.762486 0.420348 -2.044839
H 1.580935 -0.857554 -1.603374
H 3.029463 1.728071 1.422385
H 3.628548 1.952577 -0.259917
H -0.236365 -0.584636 -0.729115
H 3.254914 -2.048070 -0.244829
H 3.887046 -1.772623 -1.909693
H 5.317660 0.789308 1.107269
H 4.121026 -0.463631 1.604667
H -0.319062 2.859696 0.706461
H 0.830642 2.120546 1.863815
H 1.422376 3.228019 0.590331
H 0.243998 -0.812997 1.730603
H -0.906790 0.549627 2.057197
H 6.823404 -0.813253 0.069880
H 6.217220 -1.903727 -1.210310
H 5.786147 -2.217665 0.508487
H -3.849569 1.653123 -1.628263
H -4.122427 -2.312753 1.436962
H -6.059094 0.468858 -1.311490
H -6.189592 -1.540781 0.205112


