%chk=000097255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097255

0 1
 O    2.139900      -1.088800      0.1458000    
 O  -0.5030000      -1.926500       2.205300    
 O    2.758800      -2.810300      -1.251900    
 N    4.305400      -1.710700      4.6599999E-02
 C  -0.1639000     -0.2125000      0.4416000    
 C   -1.655900     -0.3621000      3.9799999E-02
 C   0.4079000       1.193300      0.1155000    
 C   0.7857000      -1.235100     -0.2671000    
 C  -9.0800002E-02 -0.5866000       1.959600    
 C   -2.559000      0.4826000      0.6191000    
 C   0.3952000       1.598900      -1.188400    
 C   -1.976600      -1.329200     -0.8694000    
 C   0.8893000       1.941000       1.151700    
 C   -3.899600      0.3484000      0.2580000    
 C   0.9088000       2.862200      -1.481600    
 C   -3.317400      -1.463200      -1.230500    
 C    1.402800       3.204400      0.8585000    
 C   -4.278700     -0.6243000     -0.6667000    
 C    1.412600       3.664800     -0.4583000    
 C    3.038500      -1.946500     -0.4273000    
 H   0.7587000      -1.101100      -1.356800    
 H   0.4811000      -2.270200     -6.7400001E-02
 H  -0.7238000      5.7999998E-02   2.579500    
 H   0.9279000     -0.5008000       2.357200    
 H   -2.279000       1.249700       1.332800    
 H  -6.0000003E-04  0.9905000      -1.994200    
 H   -1.274000      -2.003400      -1.340100    
 H   0.8970000       1.638800       2.190100    
 H   -4.648000       1.003000      0.6951000    
 H   0.9144000       3.221800      -2.506500    
 H   -3.613600      -2.219800      -1.951500    
 H    1.793000       3.831200       1.655000    
 H   0.2568000      -2.508300       2.035200    
 H   -5.322400     -0.7281000     -0.9485000    
 H    1.811400       4.648900     -0.6864000    
 H    4.486700     -0.9829000      0.7296000    
 H    5.099000      -2.256500     -0.2719000    


%chk=000097255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097255

0 1
O 2.123556 -1.269411 0.269045
O -0.344316 -2.108033 2.226153
O 2.936623 -2.488039 -1.580646
N 4.352222 -1.694240 0.119111
C -0.115564 -0.321493 0.457122
C -1.593099 -0.422167 -0.003248
C 0.414197 1.114083 0.198853
C 0.763895 -1.325987 -0.325520
C -0.044835 -0.693979 1.980506
C -2.486414 0.623373 0.355767
C 0.377511 1.621144 -1.128511
C -2.117432 -1.529097 -0.716573
C 0.928170 1.956547 1.216047
C -3.853864 0.565715 0.018823
C 0.853282 2.911852 -1.434336
C -3.487678 -1.586923 -1.063441
C 1.399412 3.257020 0.915682
C -4.363572 -0.543044 -0.696742
C 1.370716 3.739775 -0.409948
C 3.136758 -1.876795 -0.502963
H 0.825304 -1.081587 -1.398734
H 0.393656 -2.359762 -0.223111
H -0.814420 -0.133999 2.536155
H 0.957342 -0.446983 2.376557
H -2.101152 1.497905 0.893539
H -0.048086 1.003215 -1.928669
H -1.476150 -2.366177 -1.007383
H 0.966545 1.619601 2.256502
H -4.520313 1.385775 0.309389
H 0.814811 3.274814 -2.467587
H -3.868293 -2.453673 -1.615688
H 1.788255 3.890564 1.721268
H 0.478485 -2.634898 2.066064
H -5.425214 -0.590464 -0.963713
H 1.737833 4.745654 -0.642257
H 4.421959 -1.132947 0.964279
H 5.184470 -2.076741 -0.320294


