%chk=000046136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046136

0 1
 O   -4.126400       1.257900     -0.5652000    
 O    3.548500      0.4394000     -1.6500000E-02
 O    1.990100     -0.9352000     -0.9714000    
 N    6.991300     -0.8634000     -0.2612000    
 N    1.393400       1.085500      5.7700001E-02
 C   -6.990800      -1.123200     -7.3299997E-02
 C   -8.428900     -0.9823000      0.4335000    
 C   -6.213000      0.1918000     -6.7599997E-02
 C   -9.199500      -2.303100      0.4509000    
 C    5.916200      5.5700000E-02  8.1699997E-02
 C   -4.801600      8.3999997E-03 -0.6097000    
 C    8.282100     -0.1708000     -0.2702000    
 C    7.028600      -1.989500      0.6750000    
 C    4.576000     -0.4863000     -0.3893000    
 C   -10.64080      -2.097900      0.8921000    
 C    8.625800      0.3679000       1.108200    
 C    8.102900      -2.991100      0.2864000    
 C   -2.765100       1.220100     -0.4089000    
 C  -0.7236000       2.223200      0.4056000    
 C   5.4000001E-03   1.142600     -9.1200002E-02
 C   -2.108800       2.261900      0.2466000    
 C   -2.036000      0.1396000     -0.9059000    
 C  -0.6507000      0.1008000     -0.7473000    
 C    2.271400      9.4800003E-02 -0.3712000    
 C  -4.6799999E-02   3.353200       1.111200    
 H   -7.010800      -1.527900      -1.092900    
 H   -6.463600      -1.857700      0.5482000    
 H   -8.959100     -0.2614000     -0.2013000    
 H   -8.413900     -0.5602000       1.446000    
 H   -6.738300      0.9454000     -0.6674000    
 H   -6.165000      0.5980000      0.9505000    
 H   -8.708000      -3.010500       1.128700    
 H   -9.190500      -2.751200     -0.5494000    
 H    6.056600       1.028100     -0.4102000    
 H    5.860200      0.2716000       1.156700    
 H   -4.299800     -0.7452000      1.1200000E-02
 H   -4.839900     -0.3420000      -1.647700    
 H    8.238700      0.6647000     -0.9811000    
 H    9.088500     -0.8068000     -0.6501000    
 H    6.080800      -2.536800      0.6199000    
 H    7.135900      -1.695300       1.725000    
 H    4.575900     -0.6023000      -1.480100    
 H    4.343700      -1.450900      7.2899997E-02
 H   -11.17390      -3.053800      0.9005000    
 H   -11.16740      -1.421300      0.2115000    
 H   -10.68560      -1.674900       1.900800    
 H    7.874900       1.052500       1.511900    
 H    8.826400     -0.4164000       1.843200    
 H    9.552900      0.9492000       1.032100    
 H    8.055600      -3.243500     -0.7786000    
 H    9.111600      -2.639600      0.5226000    
 H    7.956200      -3.921400      0.8469000    
 H   -2.687600       3.098800      0.6295000    
 H   -2.505800     -0.6769000      -1.446600    
 H  -0.1591000     -0.7657000      -1.165900    
 H    1.833400       1.863400      0.5408000    
 H   0.4694000       2.993700       2.007500    
 H   0.6709000       3.847100      0.4478000    
 H  -0.7630000       4.116100       1.436200    


%chk=000046136-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046136

0 1
O -4.159802 0.863650 0.486440
O 3.685563 0.443575 -0.071438
O 2.127621 -1.253351 -0.581251
N 7.232581 -0.740735 -0.227692
N 1.491880 0.902645 0.188292
C -7.352160 -1.156074 -0.052067
C -8.846609 -0.835497 0.175488
C -6.421609 0.019768 0.324390
C -9.784386 -2.003785 -0.205159
C 6.086011 0.151065 0.068099
C -4.946514 -0.324106 0.108543
C 8.465175 -0.029138 -0.649372
C 7.423158 -1.796866 0.799430
C 4.788972 -0.470692 -0.469978
C -11.275424 -1.679892 0.031127
C 9.177728 0.818097 0.441017
C 8.331813 -2.947583 0.329371
C -2.760608 0.775269 0.376320
C -0.640250 1.990807 0.685291
C 0.068633 0.828870 0.239641
C -2.046021 1.940879 0.745527
C -2.052814 -0.367177 -0.064529
C -0.643224 -0.336412 -0.130816
C 2.381181 -0.085041 -0.193157
C 0.099109 3.256327 1.088224
H -7.196002 -1.427634 -1.117252
H -7.078315 -2.053106 0.542226
H -9.123894 0.063334 -0.413755
H -9.007255 -0.570167 1.241256
H -6.673983 0.911540 -0.280997
H -6.572804 0.298197 1.385103
H -9.502669 -2.902648 0.380689
H -9.625965 -2.265658 -1.271357
H 6.244385 1.125581 -0.428875
H 5.964992 0.360403 1.156734
H -4.644467 -1.187325 0.738946
H -4.748893 -0.578146 -0.954595
H 8.191958 0.626210 -1.498499
H 9.173965 -0.775161 -1.053682
H 6.424738 -2.212353 1.032478
H 7.817390 -1.378716 1.760145
H 4.815569 -0.551899 -1.570609
H 4.596014 -1.473800 -0.050505
H -11.924375 -2.529729 -0.249653
H -11.589990 -0.802756 -0.565456
H -11.466311 -1.446205 1.095650
H 8.498492 1.582084 0.862571
H 9.544615 0.190142 1.273364
H 10.049392 1.342256 0.006540
H 7.958438 -3.364323 -0.622655
H 9.375510 -2.618240 0.177234
H 8.345420 -3.753963 1.085419
H -2.615836 2.812810 1.083001
H -2.573999 -1.282560 -0.358209
H -0.088589 -1.214245 -0.468892
H 1.929748 1.781726 0.467999
H 0.787870 3.083088 1.939647
H 0.695450 3.674457 0.252192
H -0.610606 4.039107 1.401154


