%chk=000026013.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026013

0 1
 O    3.505200       1.679900      0.4521000    
 O    2.107500       2.063100      -1.347000    
 N  -0.9819000      0.6140000      0.4967000    
 N   -4.436400       1.872600     -0.2311000    
 C    1.894000      3.5599999E-02 -3.7000000E-02
 C    1.282000      0.1744000       1.380600    
 C   0.7473000     -0.3089000      -1.021600    
 C   4.9699999E-02   1.085200       1.425400    
 C  -0.4766000      0.6042000     -0.8788000    
 C   -2.180900       1.445900      0.5968000    
 C    3.017800      -1.009800     -0.1358000    
 C    2.493000       1.377300     -0.4098000    
 C   -3.308600      0.9361000     -0.3221000    
 C    3.382400      -1.743200      0.9902000    
 C    3.665400      -1.217200      -1.350800    
 C   -3.748100     -0.4882000     -2.6699999E-02
 C    4.401900      -2.691000      0.9004000    
 C    4.684800      -2.165100      -1.440600    
 C   -3.977200       3.239700     -0.4604000    
 C   -5.473700       1.508400      -1.192100    
 C   -3.117800      -1.531500     -0.6764000    
 C   -4.765100     -0.7001000      0.8834000    
 C    5.053100      -2.901900     -0.3151000    
 C    4.163400       2.928100      0.2135000    
 C   -3.520900      -2.839000     -0.4052000    
 C   -5.168100      -2.007800       1.154500    
 C    5.253700       3.116100       1.246800    
 C   -4.545900      -3.077100      0.5101000    
 H   0.9524000     -0.8104000       1.740700    
 H    2.014100      0.5467000       2.108600    
 H    1.089300     -0.2589000      -2.063500    
 H   0.4292000      -1.348500     -0.8570000    
 H  -0.3420000       1.068600       2.450200    
 H   0.3392000       2.122000       1.210500    
 H  -0.2358000       1.625300      -1.197300    
 H   -1.187400      0.2433000      -1.618800    
 H   -2.536400       1.441600       1.636400    
 H   -1.869600       2.468400      0.3613000    
 H   -2.986900      0.9744000      -1.370000    
 H    2.920200      -1.614500       1.961900    
 H    3.399900     -0.6506000      -2.238700    
 H    4.691200      -3.263300       1.777100    
 H    5.193200      -2.328200      -2.386400    
 H   -4.834100       3.903800     -0.6334000    
 H   -3.321500       3.334500      -1.334100    
 H   -3.493400       3.665200      0.4248000    
 H   -5.104800       1.537000      -2.225000    
 H   -5.929100      0.5292000      -1.025200    
 H   -6.307600       2.218200      -1.125100    
 H   -2.347900      -1.388300      -1.421400    
 H   -5.249000      0.1071000       1.424500    
 H    5.847500      -3.639100     -0.3847000    
 H    4.601700       2.923100     -0.7908000    
 H    3.436300       3.744200      0.2894000    
 H   -3.042800      -3.671500     -0.9132000    
 H   -5.961800      -2.194100       1.872100    
 H    5.779100       4.062800       1.093700    
 H    4.832300       3.104500       2.257500    
 H    5.978200       2.296700       1.195400    
 H   -4.860000      -4.095200      0.7209000    


%chk=000026013-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026013

0 1
O 3.016429 1.378667 1.205071
O 3.156343 2.211277 -0.956314
N -0.898278 0.930728 -0.706842
N -4.662045 1.705211 -0.658580
C 1.950443 0.063243 -0.551877
C 0.887239 -0.293647 0.523393
C 1.205364 0.320534 -1.899331
C -0.227351 0.765095 0.603830
C 0.063103 1.346165 -1.756243
C -2.135069 1.743283 -0.655266
C 3.020819 -1.044532 -0.744085
C 2.741440 1.334751 -0.159813
C -3.428427 0.862958 -0.719452
C 3.011829 -2.246421 0.006688
C 4.047320 -0.860422 -1.710118
C -3.428572 -0.165753 0.413058
C 3.991452 -3.242800 -0.210471
C 5.027365 -1.851911 -1.925478
C -4.666972 2.861825 -1.580963
C -5.885948 0.890563 -0.846649
C -2.966935 -1.484730 0.186757
C -3.834459 0.203219 1.721510
C 5.002404 -3.052544 -1.178119
C 3.880920 2.508950 1.666901
C -2.906213 -2.419846 1.246340
C -3.778131 -0.728459 2.781335
C 4.053456 2.341404 3.172839
C -3.310626 -2.044610 2.548513
H 0.417929 -1.255918 0.244899
H 1.359495 -0.404781 1.514520
H 1.915388 0.677753 -2.664807
H 0.785949 -0.645484 -2.237217
H -0.976925 0.444044 1.346318
H 0.202124 1.736509 0.965906
H 0.501299 2.354910 -1.546752
H -0.475619 1.416954 -2.719488
H -2.182722 2.371509 0.262082
H -2.133754 2.432126 -1.519520
H -3.374396 0.308433 -1.693402
H 2.244845 -2.414922 0.767871
H 4.089472 0.071402 -2.286455
H 3.964172 -4.166238 0.379489
H 5.810902 -1.687139 -2.673903
H -5.643095 3.372421 -1.499691
H -4.520578 2.576636 -2.654404
H -3.889772 3.593303 -1.305768
H -5.948500 0.428869 -1.864597
H -5.918819 0.078557 -0.102488
H -6.777485 1.526805 -0.702126
H -2.644445 -1.772237 -0.820362
H -4.211584 1.219566 1.883027
H 5.761638 -3.824837 -1.345361
H 4.839485 2.454259 1.119715
H 3.384688 3.458747 1.396916
H -2.548179 -3.438379 1.055834
H -4.099327 -0.432305 3.786931
H 4.692350 3.151786 3.569079
H 3.079045 2.383102 3.689095
H 4.531159 1.375142 3.408301
H -3.267940 -2.768992 3.370126


