%chk=000124418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124418

0 1
 O   -2.284200     -0.3233000       1.203800    
 O   -2.057700       2.193300       2.417400    
 O    5.948900      0.6865000      0.4525000    
 N   -2.418000       3.291300      -1.100400    
 C   -1.973300       2.048500      0.9968000    
 C   4.1200001E-02  -1.796200      0.4388000    
 C   -2.434100       3.359100      0.3545000    
 C   -1.347500      -2.258600      0.1439000    
 C   -2.812800      0.8429000      0.5801000    
 C   0.6556000     -0.9143000     -0.6653000    
 C   -2.450900      -1.507100      0.5362000    
 C    2.071500     -0.4862000     -0.3659000    
 C   -1.535600      -3.462300     -0.5354000    
 C   -3.740800      -1.947900      0.2558000    
 C   -2.972600       4.515900      -1.681200    
 C   -1.056600       3.069000      -1.592500    
 C    2.292800      0.6944000      0.3253000    
 C    3.125000      -1.281400     -0.7885000    
 C   -2.826300      -3.908800     -0.8189000    
 C   -3.928900      -3.151700     -0.4233000    
 C    3.601700       1.090100      0.6011000    
 C    4.433900     -0.8857000     -0.5126000    
 C    4.672200      0.3001000      0.1822000    
 C    6.996500     -0.1676000     -4.4000000E-03
 H  -0.9176000       1.846000      0.7929000    
 H   0.6840000      -2.672500      0.6032000    
 H   6.3600004E-02  -1.260400       1.397200    
 H   -1.816600       4.188400      0.7267000    
 H   -3.452700       3.570700      0.7080000    
 H   -3.846900      0.9695000      0.9218000    
 H   -2.807900      0.7265000     -0.5102000    
 H   3.0999999E-02 -2.7600000E-02 -0.8222000    
 H   0.6352000      -1.449600      -1.624300    
 H  -0.6855000      -4.061100     -0.8516000    
 H   -4.609100      -1.373200      0.5655000    
 H   -2.387700       5.402900      -1.412000    
 H   -3.007000       4.442900      -2.774000    
 H   -4.004800       4.667700      -1.346200    
 H  -0.6887000       2.072300      -1.340500    
 H  -0.3495000       3.815600      -1.213000    
 H   -1.036100       3.114900      -2.688000    
 H    1.466900       1.315700      0.6574000    
 H    2.947900      -2.207300      -1.328400    
 H   -2.972800      -4.846000      -1.347900    
 H   -4.933900      -3.500400     -0.6425000    
 H   -1.483900       2.936300       2.671300    
 H    3.781000       2.014600       1.143200    
 H    5.218000      -1.546400     -0.8662000    
 H    7.008900     -0.2400000      -1.097200    
 H    7.943400      0.2928000      0.2962000    
 H    6.952300      -1.150900      0.4762000    


%chk=000124418-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124418

0 1
O -1.707643 -0.052123 0.359559
O -1.713225 2.339126 2.199715
O 6.274146 0.326637 0.840258
N -2.942508 3.681276 -1.136715
C -1.905617 2.325426 0.737281
C 0.231075 -2.061454 0.437075
C -2.696913 3.591499 0.318452
C -1.215547 -2.380579 0.107790
C -2.675542 1.055223 0.403587
C 0.979455 -1.358964 -0.742675
C -2.193568 -1.341062 0.071950
C 2.390923 -0.937224 -0.365996
C -1.642542 -3.695974 -0.180275
C -3.547137 -1.619431 -0.233423
C -4.058495 4.593913 -1.465488
C -1.726275 3.995269 -1.917068
C 2.602211 0.123967 0.559042
C 3.530990 -1.586355 -0.893602
C -2.991214 -3.991131 -0.494934
C -3.940320 -2.947836 -0.518045
C 3.896730 0.519826 0.938135
C 4.844388 -1.205293 -0.525551
C 5.025102 -0.146423 0.395855
C 7.467992 -0.335582 0.314273
H -0.923453 2.287920 0.221888
H 0.772314 -2.988386 0.704339
H 0.271493 -1.389149 1.314115
H -2.147272 4.490036 0.708787
H -3.672637 3.564881 0.839768
H -3.435564 0.866272 1.187998
H -3.162006 1.181522 -0.583660
H 0.382764 -0.475097 -1.035565
H 1.000184 -2.043536 -1.611476
H -0.900979 -4.503904 -0.149501
H -4.294302 -0.820845 -0.251695
H -3.856070 5.660454 -1.193455
H -4.260654 4.553557 -2.550746
H -4.972391 4.272371 -0.935444
H -0.955183 3.221133 -1.764347
H -1.281948 4.987522 -1.648857
H -1.974000 4.010706 -2.992892
H 1.734088 0.642731 0.985356
H 3.396847 -2.407332 -1.609078
H -3.294326 -5.021052 -0.711276
H -4.989257 -3.159584 -0.754587
H -1.096320 3.075996 2.441175
H 4.062999 1.336092 1.648268
H 5.700145 -1.732117 -0.959041
H 7.539048 -0.228338 -0.786271
H 8.316257 0.177580 0.791178
H 7.485258 -1.410762 0.581219


