%chk=000094701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094701

0 1
 O   -1.319900      0.6901000       1.479000    
 O   0.3635000     -0.5743000      -1.423800    
 O    4.563000      -1.401500      0.5596000    
 O    5.457200     -3.2200001E-02  -1.002300    
 N   -1.391500      -1.371000      0.4288000    
 N    2.089800     -0.6364000      0.1376000    
 N   -3.931800      0.6293000       1.943800    
 C   8.0000004E-03  -1.715600      0.6425000    
 C   8.8399999E-02  -3.209100      0.3484000    
 C   -1.024900      -3.430200     -0.6726000    
 C   -2.109800      -2.464000     -0.2216000    
 C   -1.959000     -0.2123000      0.9357000    
 C   -3.453800     -9.6699998E-02  0.7747000    
 C   0.8147000     -0.9120000     -0.3326000    
 C   -3.844300      0.5921000     -0.5505000    
 C    3.069600      0.1014000     -0.6186000    
 C    2.994200       1.628000     -0.3714000    
 C   -3.618100       2.116600     -0.4390000    
 C   -5.271400      0.2638000      -1.013100    
 C    2.970900       1.919600       1.144700    
 C    1.809400       2.282600      -1.095100    
 C    4.476800     -0.4333000     -0.3841000    
 C   -3.819200       2.862000      -1.751600    
 C    3.038100       3.403100       1.481500    
 H   0.2954000      -1.475800       1.672000    
 H    1.063800      -3.533600     -2.6500000E-02
 H  -0.1373000      -3.778900       1.258100    
 H   -1.372500      -4.466600     -0.7049000    
 H  -0.6720000      -3.160500      -1.675000    
 H   -2.757300      -2.937800      0.5242000    
 H   -2.719600      -2.100500      -1.052300    
 H   -3.913200      -1.087900      0.8172000    
 H   -3.170200      0.2233000      -1.335700    
 H    2.871300     -9.8399997E-02  -1.680300    
 H    3.902000       2.085300     -0.7883000    
 H    2.357400     -0.9693000       1.059600    
 H   -4.296600       2.560700      0.2990000    
 H   -2.595600       2.320000     -0.1012000    
 H   -5.427800     -0.8201000      -1.031800    
 H   -5.459900      0.6341000      -2.025000    
 H   -6.016700      0.7022000     -0.3417000    
 H    3.822700       1.424200       1.625900    
 H    2.062800       1.510600       1.603600    
 H   -3.743500      8.9100003E-02   2.787700    
 H   -4.944700      0.7321000       1.895200    
 H   0.8559000       2.020000     -0.6262000    
 H    1.897600       3.373600      -1.084900    
 H    1.774700       1.972800      -2.144800    
 H   -4.865300       2.843500      -2.070500    
 H   -3.531800       3.912000      -1.633400    
 H   -3.203300       2.431100      -2.547200    
 H    3.905900       3.874500       1.009600    
 H    2.135800       3.930600       1.158800    
 H    3.127600       3.537300       2.564500    
 H    5.483500      -1.719600      0.6756000    


%chk=000094701-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094701

0 1
O -0.688051 -0.247280 1.834876
O 1.730179 -2.261584 -1.459706
O 3.762493 -0.694015 1.773811
O 4.999140 0.747013 0.444903
N -1.267073 -1.826404 0.238688
N 1.592703 -0.637133 0.214106
N -3.395483 0.398610 2.314233
C 0.047512 -2.544808 0.344045
C -0.247777 -3.920242 -0.287519
C -1.323385 -3.602620 -1.356226
C -2.212617 -2.539386 -0.672578
C -1.572574 -0.763509 1.054120
C -3.017967 -0.199364 1.021075
C 1.197210 -1.801599 -0.400155
C -3.190940 0.835662 -0.152549
C 2.719833 0.147537 -0.284389
C 2.349581 1.630898 -0.630680
C -2.475631 2.177044 0.163442
C -4.698470 1.031210 -0.430440
C 1.878793 2.412430 0.626344
C 1.315002 1.652637 -1.776797
C 3.936953 0.117939 0.647867
C -2.372465 3.126670 -1.050242
C 1.675457 3.923110 0.377195
H 0.319299 -2.600479 1.414901
H 0.661084 -4.350665 -0.734297
H -0.644909 -4.610422 0.478999
H -1.905393 -4.488049 -1.660963
H -0.832299 -3.179220 -2.248988
H -3.021637 -3.017480 -0.084121
H -2.673426 -1.840938 -1.392198
H -3.718052 -1.033180 0.819953
H -2.712252 0.402481 -1.058637
H 3.046119 -0.350034 -1.221180
H 3.291612 2.095334 -0.986367
H 1.058197 -0.343289 1.050825
H -3.024036 2.679409 0.983583
H -1.455940 1.968407 0.543388
H -5.173039 0.087196 -0.761600
H -4.873732 1.784865 -1.218257
H -5.201272 1.362965 0.495597
H 2.634121 2.290106 1.429127
H 0.935102 1.974202 1.009886
H -2.624080 0.961739 2.696670
H -3.697087 -0.299662 3.003522
H 0.361910 1.193280 -1.454474
H 1.104570 2.686411 -2.101263
H 1.681844 1.089479 -2.654572
H -3.367430 3.432597 -1.420734
H -1.822652 4.047607 -0.780817
H -1.832135 2.646710 -1.888494
H 2.593649 4.384361 -0.032887
H 0.851499 4.115545 -0.333612
H 1.428265 4.445004 1.319715
H 4.598678 -0.669095 2.315171


