%chk=000127082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127082

0 1
 O   -2.097400      -1.874800       1.608300    
 O  -3.0400001E-02   2.450600      0.8026000    
 O   2.1299999E-02   1.502900      -1.288800    
 O   -5.360700     -0.6473000     -0.8132000    
 O   -4.479000      -2.626200     -0.1252000    
 N  -0.3584000      0.2399000      0.6194000    
 C    1.999600      -1.477000      0.2388000    
 C    2.389000      -1.564800      -1.243000    
 C    3.015800      -2.221400       1.115700    
 C   0.5916000      -2.026200      0.4602000    
 C    3.813900      -1.070600      -1.481800    
 C    4.439600      -1.725800      0.8730000    
 C    4.819800      -1.806500     -0.6022000    
 C  -0.5001000      -1.054000     -1.3000000E-02
 C   -1.919700      -1.615300      0.2116000    
 C   -3.045300     -0.6818000     -0.2383000    
 C  -0.1102000       1.404700     -7.3200002E-02
 C   -4.347600      -1.434700     -0.3728000    
 C   0.2256000       3.733900      0.2210000    
 C    1.569800       3.680200     -0.5037000    
 C   0.2685000       4.753600       1.357100    
 C  -0.9056000       4.060900     -0.7526000    
 H    2.047700     -0.4243000      0.5428000    
 H    1.708800     -0.9674000      -1.859200    
 H    2.306400      -2.602300      -1.591500    
 H    2.766600      -2.089100       2.175400    
 H    2.967600      -3.298300      0.9092000    
 H   0.4541000      -2.209400       1.534200    
 H   0.4733000      -2.996600     -3.7799999E-02
 H    4.078900      -1.205800      -2.536500    
 H    3.865800      5.5999998E-03  -1.274800    
 H    4.528500     -0.6879000       1.216900    
 H    5.142600      -2.320100       1.467500    
 H    4.871200      -2.858600     -0.9086000    
 H    5.819100      -1.381600     -0.7495000    
 H  -0.3900000     -0.9169000      -1.095100    
 H   -1.990600      -2.580400     -0.3040000    
 H  -0.4338000      0.2958000       1.630500    
 H   -2.811100     -0.2624000      -1.222900    
 H   -3.201700      0.1283000      0.4824000    
 H   -2.025100      -1.029300       2.082300    
 H    1.925500       4.693400     -0.7258000    
 H    1.548900       3.158000      -1.463600    
 H    2.328400       3.185900      0.1144000    
 H   0.4622000       5.766500      0.9893000    
 H  -0.6785000       4.760200       1.908700    
 H    1.047600       4.493500       2.082900    
 H  -0.9024000       5.130000     -0.9967000    
 H   -1.881800       3.819900     -0.3158000    
 H  -0.8446000       3.541500      -1.712200    
 H   -6.200200      -1.146800     -0.9029000    


%chk=000127082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127082

0 1
O -2.146902 -1.559473 1.688338
O -0.156567 2.572240 0.611695
O 0.250750 1.412036 -1.425582
O -4.738116 -1.879287 0.886792
O -5.276282 -1.584367 -1.351007
N -0.510771 0.341508 0.517628
C 2.005486 -1.442479 0.289374
C 2.376408 -1.497442 -1.217024
C 3.015989 -2.272901 1.124138
C 0.560603 -1.925361 0.563195
C 3.840463 -1.063164 -1.469138
C 4.477915 -1.831972 0.876484
C 4.835524 -1.896010 -0.627479
C -0.550982 -1.020809 -0.033138
C -1.951949 -1.624572 0.233782
C -3.058164 -0.844767 -0.528353
C -0.103730 1.436601 -0.212339
C -4.441646 -1.449736 -0.436562
C 0.279013 3.926895 0.074845
C 1.763045 3.860310 -0.340033
C 0.077211 4.832800 1.302365
C -0.642721 4.340629 -1.090182
H 2.085496 -0.383587 0.619152
H 1.699276 -0.846116 -1.800837
H 2.235814 -2.538705 -1.580253
H 2.769271 -2.189003 2.201750
H 2.909593 -3.346112 0.855268
H 0.386986 -2.008971 1.653867
H 0.435254 -2.946127 0.143026
H 4.080532 -1.150801 -2.546776
H 3.947873 0.009691 -1.205496
H 4.610245 -0.790182 1.236142
H 5.171547 -2.464600 1.464595
H 4.803297 -2.953408 -0.964247
H 5.871202 -1.538674 -0.791163
H -0.405777 -0.924999 -1.124320
H -1.947078 -2.683700 -0.104739
H -0.790531 0.464319 1.493366
H -2.806869 -0.765649 -1.599648
H -3.091331 0.184043 -0.118056
H -3.096938 -1.790412 1.876444
H 2.113971 4.870881 -0.618552
H 1.900080 3.186938 -1.200803
H 2.381004 3.500733 0.502130
H 0.354194 5.872560 1.052239
H -0.977676 4.817499 1.626672
H 0.705653 4.492357 2.143376
H -0.393931 5.369306 -1.410007
H -1.699628 4.326333 -0.769028
H -0.517675 3.662202 -1.948500
H -5.654932 -2.264797 0.916100


