%chk=000055225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055225

0 1
 O   -6.001800     -0.4681000     -0.2241000    
 O    5.750400      -1.239200     -0.2889000    
 N   -1.134900       2.207200      6.4900003E-02
 N   0.4631000      0.4378000     -0.1237000    
 C   -6.035700      -1.809600      0.2606000    
 C    6.704400     -0.4549000      0.4255000    
 C   -4.810600      0.1863000     -0.1530000    
 C   -2.371200       1.528000     -9.3000000E-03
 C    4.454100     -0.8266000     -0.2478000    
 C   -7.017300      -1.898800       1.419000    
 C   -6.416100      -2.744000     -0.8779000    
 C   -4.703900       1.361700      0.5904000    
 C   -3.696700     -0.3177000     -0.8247000    
 C   -3.483300       2.033200      0.6621000    
 C   -2.476100      0.3536000     -0.7526000    
 C    7.349500      -1.311300       1.504500    
 C    7.732500      9.5299996E-02 -0.5514000    
 C    1.795800      1.6000001E-02 -0.1652000    
 C   0.1558000       1.703000     -6.0000003E-04
 C    3.790100     -0.7324000      0.9752000    
 C    3.788900     -0.4997000      -1.429600    
 C    2.460900     -0.3112000       1.016500    
 C    2.459800     -7.8400001E-02  -1.388200    
 C    1.242200       2.769800      0.1180000    
 H   -5.053400      -2.118600      0.6433000    
 H    6.226200      0.4062000      0.9121000    
 H   -7.072400      -2.915900       1.818700    
 H   -6.718000      -1.222100       2.226600    
 H   -8.020700      -1.589900       1.105700    
 H   -6.456000      -3.784700     -0.5418000    
 H   -5.696400      -2.672200      -1.699500    
 H   -7.393200      -2.473600      -1.293400    
 H   -5.568100       1.758600       1.116000    
 H   -3.766200      -1.221600      -1.422700    
 H   -3.412900       2.947300       1.245900    
 H   -1.643800     -4.9100000E-02  -1.320400    
 H    8.091900     -0.7425000       2.072600    
 H    6.597200      -1.693500       2.201800    
 H    7.841400      -2.186100       1.064800    
 H    8.484400      0.7036000     -3.9600000E-02
 H    7.243800      0.7122000      -1.313300    
 H    8.240500     -0.7170000      -1.082900    
 H   -1.242300       3.188400      0.3107000    
 H    4.288600     -0.9923000       1.904300    
 H    4.301300     -0.5711000      -2.385100    
 H    1.951000     -0.2434000       1.974000    
 H    1.949900      0.1737000      -2.314300    
 H    1.826900       2.604000       1.027100    
 H    1.899400       2.736600     -0.7551000    
 H   0.8083000       3.772600      0.1718000    


%chk=000055225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055225

0 1
O -5.892690 -0.730917 0.570527
O 5.996716 -0.254129 -0.479372
N -1.368816 2.580373 -0.279922
N 0.522840 1.194971 -0.029556
C -5.824124 -2.203695 0.777464
C 6.705334 -1.042533 0.564526
C -4.703490 -0.010733 0.355706
C -2.439772 1.670606 -0.057984
C 4.638126 0.066639 -0.296552
C -7.156743 -2.570241 1.439292
C -5.603050 -2.922892 -0.565736
C -4.877406 1.374468 0.106305
C -3.392581 -0.546375 0.393375
C -3.761743 2.200880 -0.096679
C -2.268173 0.285374 0.191846
C 6.320149 -2.529900 0.464202
C 8.194800 -0.792821 0.304104
C 1.901067 0.885335 -0.137249
C 0.012741 2.375006 -0.304184
C 3.872043 -0.221561 0.862926
C 4.026921 0.742236 -1.381801
C 2.520195 0.176936 0.927569
C 2.682562 1.148272 -1.303319
C 0.794504 3.648711 -0.634111
H -4.990646 -2.422720 1.477317
H 6.431587 -0.636767 1.560973
H -7.198416 -3.655340 1.644053
H -7.280518 -2.025353 2.390575
H -7.998218 -2.304736 0.775368
H -5.539313 -4.015538 -0.409188
H -4.674193 -2.589708 -1.059200
H -6.448028 -2.716314 -1.246135
H -5.893373 1.779825 0.081277
H -3.220302 -1.610369 0.581557
H -3.917401 3.271453 -0.287153
H -1.253725 -0.115493 0.225549
H 6.831239 -3.112890 1.252582
H 5.232236 -2.677965 0.574466
H 6.624196 -2.930597 -0.519003
H 8.810844 -1.337508 1.042337
H 8.426205 0.283602 0.374917
H 8.468531 -1.140162 -0.707654
H -1.661030 3.544239 -0.449540
H 4.306049 -0.753851 1.714678
H 4.624384 0.936848 -2.278187
H 1.919676 -0.055899 1.813092
H 2.219008 1.643009 -2.164549
H 1.843302 3.545183 -0.316521
H 0.787843 3.859479 -1.719715
H 0.357951 4.523162 -0.116275


