%chk=000056859.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056859

0 1
 O   -2.219400      -1.887200      4.4999998E-03
 O    3.054600       1.268100       1.560000    
 O  -0.1711000      -2.450000      0.8118000    
 N  -0.7739000     -0.1615000      0.5413000    
 N    4.102000      0.1500000     -0.1805000    
 C   0.4698000      0.4084000      0.9850000    
 C    1.644700     -3.8100000E-02  0.1217000    
 C   -1.858000      0.7276000      0.1245000    
 C    2.986800      0.5269000      0.5761000    
 C   -1.959700       1.126400      -1.208300    
 C   -2.790800       1.176100       1.059700    
 C    3.999300     -0.7294000      -1.342800    
 C    5.450300      0.6064000      0.1340000    
 C  -0.9758000      -1.576100      0.4978000    
 C   -2.994200       1.973400      -1.605800    
 C   -3.825400       2.023000      0.6621000    
 C  -0.9759000      0.6630000      -2.233600    
 C   -2.709100      0.7659000       2.494600    
 C   -3.927000       2.421800     -0.6705000    
 C    3.774700      5.8800001E-02  -2.616700    
 C    6.149100     -0.3420000       1.086300    
 C   -2.525200      -3.281200     -0.1232000    
 C   -3.925900      -3.430100     -0.6779000    
 H   0.6316000      7.7299997E-02   2.018200    
 H   0.3988000       1.502700       1.000200    
 H    1.470300      0.2576000     -0.9132000    
 H    1.724900      -1.127100      0.1612000    
 H    4.922700      -1.314500      -1.426500    
 H    3.196100      -1.458300      -1.219000    
 H    6.025200      0.7281000     -0.7902000    
 H    5.381000       1.592300      0.6073000    
 H   -3.085900       2.294900      -2.640000    
 H   -4.560900       2.381800       1.377200    
 H   -1.399800      0.7308000      -3.242200    
 H  -0.6938000     -0.3846000      -2.094700    
 H  -8.2199998E-02   1.293400      -2.206800    
 H   -3.516500       1.205900       3.090100    
 H   -1.764000       1.097900       2.936300    
 H   -2.792900     -0.3215000       2.590200    
 H   -4.732100       3.081700     -0.9800000    
 H    2.868600      0.6691000      -2.572000    
 H    4.613200      0.7351000      -2.813800    
 H    3.684300     -0.6199000      -3.470700    
 H    5.589800     -0.4447000       2.022200    
 H    6.251300      -1.340800      0.6497000    
 H    7.150500      2.8300000E-02   1.326500    
 H   -2.464200      -3.759100      0.8607000    
 H   -1.806100      -3.750900     -0.8034000    
 H   -4.193000      -4.484600     -0.7889000    
 H   -4.007600      -2.939500      -1.653400    
 H   -4.654500      -2.947600     -1.7999999E-02


%chk=000056859-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056859

0 1
O -2.400996 -2.003795 -0.104627
O 2.934610 0.956729 1.741201
O -0.270750 -2.607173 0.686478
N -0.866229 -0.354917 0.407466
N 4.087316 0.209946 -0.132630
C 0.440134 0.082939 0.973680
C 1.621192 -0.196739 0.020378
C -1.851040 0.646654 0.034511
C 2.922846 0.364762 0.610475
C -2.129788 0.895430 -1.340088
C -2.493684 1.386797 1.069375
C 4.154179 -0.456239 -1.451093
C 5.352596 0.749812 0.424305
C -1.104963 -1.716933 0.354936
C -3.052231 1.920470 -1.663742
C -3.407092 2.405491 0.703269
C -1.494800 0.069798 -2.441878
C -2.233972 1.081516 2.533544
C -3.683261 2.677144 -0.653492
C 4.068061 0.529314 -2.639811
C 6.115421 -0.290336 1.272110
C -2.739537 -3.454604 -0.157954
C -4.182848 -3.544114 -0.644446
H 0.621777 -0.434239 1.931228
H 0.375093 1.162182 1.179168
H 1.426446 0.259226 -0.969674
H 1.697354 -1.290766 -0.125865
H 5.109129 -1.014063 -1.501024
H 3.350158 -1.207224 -1.525719
H 5.977754 1.101560 -0.418261
H 5.094230 1.618913 1.052472
H -3.272933 2.123589 -2.718377
H -3.909037 2.979267 1.491170
H -1.636575 0.546800 -3.426651
H -1.952452 -0.936779 -2.476789
H -0.412553 -0.077055 -2.277918
H -3.007119 1.542412 3.171345
H -1.252946 1.466919 2.870663
H -2.231282 -0.007160 2.721340
H -4.390869 3.469522 -0.922007
H 3.104271 1.068764 -2.639978
H 4.876972 1.280233 -2.592800
H 4.161139 -0.013730 -3.598477
H 5.502544 -0.594576 2.137366
H 6.364271 -1.192783 0.683402
H 7.060287 0.141250 1.651027
H -2.607050 -3.884686 0.851358
H -2.031282 -3.960108 -0.839914
H -4.495205 -4.603277 -0.696315
H -4.290335 -3.099615 -1.648981
H -4.862254 -3.012523 0.043343


