%chk=000088617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088617

0 1
 O   -1.774200      -2.230900      -1.300900    
 N  -0.9814000     -0.7641000      5.1800001E-02
 N   -1.589800      -1.970900     -0.1078000    
 C   -1.773600      0.4712000      0.3466000    
 C   -1.059900       1.735100     -6.8099998E-02
 C   0.4436000     -0.6344000      9.0599999E-02
 C   0.2577000       1.830200     -0.2893000    
 C    1.074700      0.6210000     -8.4299996E-02
 C   -3.111600      0.4376000     -0.4284000    
 C   -2.068400      0.5299000       1.856400    
 C    1.275000      -1.763400      0.2851000    
 C   0.8885000       3.129700     -0.6952000    
 C    2.481900      0.7019000     -7.2700001E-02
 C    2.667000      -1.662900      0.2991000    
 C    3.270600     -0.4300000      0.1170000    
 H   -1.670700       2.630700     -0.1725000    
 H   -2.945700      0.3494000      -1.509100    
 H   -3.744600     -0.4017000     -0.1179000    
 H   -3.696600       1.349900     -0.2576000    
 H   -2.632200     -0.3506000       2.185800    
 H   -1.143800      0.5603000       2.445200    
 H   -2.657400       1.417300       2.116200    
 H   0.8433000      -2.751300      0.4334000    
 H    1.455600       3.012800      -1.624900    
 H    1.558700       3.500500      8.7499999E-02
 H   0.1393000       3.909300     -0.8739000    
 H    2.994600       1.651200     -0.2067000    
 H    3.273600      -2.550700      0.4510000    
 H    4.353100     -0.3446000      0.1250000    


%chk=000088617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088617

0 1
O -1.096114 -2.754615 -1.083458
N -1.009694 -0.671294 -0.142887
N -1.755438 -1.713870 -0.727581
C -1.831307 0.517640 0.292104
C -1.118249 1.783326 -0.176803
C 0.415992 -0.624588 0.015783
C 0.234839 1.865099 -0.334342
C 1.055092 0.657161 -0.089988
C -3.257771 0.463251 -0.302851
C -1.911429 0.506012 1.849852
C 1.183966 -1.795098 0.241616
C 0.910341 3.160881 -0.739052
C 2.466713 0.716096 0.027719
C 2.587437 -1.698856 0.365589
C 3.232188 -0.447061 0.253432
H -1.754363 2.661035 -0.343314
H -3.236492 0.417546 -1.404017
H -3.821045 -0.407983 0.063958
H -3.789184 1.382818 0.004296
H -2.445732 -0.397268 2.195847
H -0.903030 0.520138 2.298196
H -2.459136 1.397618 2.203136
H 0.694304 -2.765329 0.314408
H 1.527487 3.028979 -1.647465
H 1.579936 3.536378 0.058717
H 0.162083 3.944820 -0.943252
H 2.971261 1.684055 -0.056320
H 3.173119 -2.606703 0.545195
H 4.321527 -0.377688 0.342878


