%chk=000028419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028419

0 1
 O    2.656900       1.470700      3.0400001E-02
 O   -2.673300      -1.490400      2.8899999E-02
 N    2.498000     -0.7888000     -5.0799999E-02
 N   -2.484100      0.7666000     -5.6100000E-02
 C    3.822000     -0.4229000     -2.3000000E-02
 C   -3.812900      0.4186000     -2.5699999E-02
 C    3.923200      0.9596000      2.6600000E-02
 C   -3.932600     -0.9624000      2.6200000E-02
 C    6.224700     -0.5115000      1.5000000E-03
 C   -6.214100      0.5396000      2.3000001E-03
 C    4.996900      -1.188300     -3.6200002E-02
 C   -4.977400       1.199600     -3.8400002E-02
 C    1.864700      0.3632000     -1.7700000E-02
 C   -1.882700     -0.3920000     -2.2000000E-02
 C    5.119500       1.665200      6.4999998E-02
 C   -5.138300      -1.651600      6.7400001E-02
 C    6.282000      0.8868000      5.1100001E-02
 C   -6.290200     -0.8577000      5.4099999E-02
 C   0.4536000      0.4915000     -2.9200001E-02
 C  -0.4570000     -0.5411000     -3.5599999E-02
 C    7.494000      -1.298400     -1.0200000E-02
 C   -7.472800       1.343600     -8.7000001E-03
 H    4.950000      -2.271900     -7.6300003E-02
 H   -4.916000       2.282700     -7.6600000E-02
 H    5.152900       2.746800      0.1029000    
 H   -5.186200      -2.732600      0.1080000    
 H    7.245800       1.391200      7.8000002E-02
 H   -7.260600      -1.349000      8.7200001E-02
 H   7.1199998E-02   1.510300     -1.9800000E-02
 H  -8.4100001E-02  -1.563100     -3.6699999E-02
 H    7.859400      -1.405500      -1.036300    
 H    8.266800     -0.8065000      0.5903000    
 H    7.346700      -2.297300      0.4145000    
 H   -7.326000       2.304800     -0.5129000    
 H   -8.269700      0.8189000     -0.5466000    
 H   -7.805300       1.533800       1.016600    


%chk=000028419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028419

0 1
O 2.703274 1.483248 -0.056339
O -2.700566 -1.473890 0.062638
N 2.580241 -0.840560 0.025084
N -2.577907 0.849954 -0.020478
C 3.937442 -0.448724 0.007347
C -3.935030 0.457878 -0.002498
C 4.017059 0.974669 -0.042461
C -4.014363 -0.965497 0.048362
C 6.362743 -0.550386 0.003099
C -6.360337 0.559171 0.001642
C 5.119379 -1.222496 0.030413
C -5.117077 1.231455 -0.026155
C 1.879815 0.295787 -0.012700
C -1.877204 -0.286146 0.018004
C 5.229001 1.674508 -0.070620
C -5.226222 -1.665481 0.077025
C 6.398045 0.881468 -0.046813
C -6.395394 -0.872649 0.052608
C 0.457507 0.518425 -0.016533
C -0.454906 -0.508706 0.021893
C 7.668196 -1.327708 0.025697
C -7.665911 1.336273 -0.021487
H 5.063989 -2.314496 0.068074
H -5.061848 2.323435 -0.064601
H 5.270987 2.765870 -0.108807
H -5.268047 -2.756821 0.116017
H 7.374185 1.380507 -0.067502
H -7.371449 -1.371844 0.073656
H 0.117512 1.558749 -0.051955
H -0.114874 -1.549016 0.057350
H 8.278434 -1.113970 -0.871841
H 8.280456 -1.059097 0.907057
H 7.491116 -2.415887 0.059586
H -7.489001 2.424443 -0.056549
H -8.278326 1.066649 -0.902427
H -8.275916 1.123383 0.876413


