%chk=000051590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051590

0 1
 O   -2.040500      -1.612700      -1.669600    
 N    3.598200       1.793900      9.6500002E-02
 N  -0.4777000     -0.6180000     -0.2751000    
 C    1.972800     -0.5088000     -0.7009000    
 C    2.453700     -0.3074000      0.7497000    
 C   0.6734000      -1.335200     -0.7750000    
 C    2.623000      -1.660100       1.453400    
 C    1.870000      0.8497000      -1.406200    
 C    3.764100      0.4981000      0.7725000    
 C   0.8359000      -2.667800     -3.3100002E-02
 C    1.339700      -2.486500       1.399300    
 C    3.189800       1.619000      -1.304000    
 C    4.833100       2.574000      0.1756000    
 C   -1.754200     -0.8225000     -0.7739000    
 C   -2.825900      1.2100000E-02 -0.1724000    
 C   -3.945400      0.3019000     -0.9244000    
 C   -2.667600      0.4703000       1.119100    
 C   -4.951900       1.085400     -0.3597000    
 C   -3.674100       1.253600       1.683800    
 C   -4.816300       1.561100      0.9444000    
 H    2.745900      -1.088500      -1.228600    
 H    1.699700      0.2687000       1.304300    
 H   0.4778000      -1.564200      -1.830800    
 H    2.908400      -1.503800       2.500500    
 H    3.437200      -2.226700      0.9840000    
 H    1.068900       1.455700     -0.9649000    
 H    1.615300      0.7035000      -2.462600    
 H    4.048900      0.6672000       1.818700    
 H    4.572200     -8.1900001E-02  0.3063000    
 H    1.554400      -3.292300     -0.5795000    
 H  -0.1112000      -3.220300     -1.6600000E-02
 H    1.518400      -3.469200       1.850700    
 H   0.5653000      -1.997600       2.003000    
 H    3.967000       1.093900      -1.875000    
 H    3.048600       2.600000      -1.774000    
 H  -0.3113000      7.1500003E-02  0.4485000    
 H    5.670900       2.075000     -0.3247000    
 H    5.110800       2.750300       1.220700    
 H    4.695500       3.559900     -0.2822000    
 H   -4.064200     -5.6400001E-02  -1.942600    
 H   -1.815000      0.2236000       1.742800    
 H   -5.840900       1.325600     -0.9356000    
 H   -3.573300       1.617100       2.702400    
 H   -5.600800       2.169500       1.384800    


%chk=000051590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051590

0 1
O -1.923989 -1.361912 -1.892437
N 3.610109 1.782969 0.035683
N -0.460856 -0.659393 -0.224707
C 1.995917 -0.560579 -0.704413
C 2.489899 -0.335370 0.751673
C 0.696361 -1.411181 -0.758943
C 2.671265 -1.685159 1.486949
C 1.879154 0.785710 -1.452274
C 3.791663 0.493436 0.741544
C 0.890254 -2.753570 -0.001306
C 1.378568 -2.535208 1.449699
C 3.200594 1.575497 -1.374943
C 4.796000 2.652864 0.152268
C -1.708385 -0.700743 -0.824804
C -2.801650 0.098752 -0.155979
C -3.922301 0.460993 -0.946070
C -2.772097 0.471346 1.213758
C -4.981235 1.205664 -0.386959
C -3.835703 1.211775 1.775614
C -4.939484 1.587224 0.975356
H 2.776328 -1.168699 -1.215285
H 1.734996 0.272718 1.298263
H 0.440363 -1.629708 -1.812784
H 2.982428 -1.506075 2.535521
H 3.493290 -2.252976 1.001584
H 1.072518 1.398134 -1.006731
H 1.611088 0.609753 -2.512448
H 4.107077 0.705887 1.781486
H 4.606058 -0.121967 0.267830
H 1.639718 -3.356585 -0.553780
H -0.059519 -3.318772 -0.018885
H 1.551704 -3.512574 1.939143
H 0.583532 -2.028166 2.034870
H 3.995249 1.025617 -1.949115
H 3.079611 2.566760 -1.850865
H -0.310551 -0.040432 0.572609
H 5.712535 2.220769 -0.325853
H 5.022087 2.834535 1.218513
H 4.590994 3.628093 -0.324755
H -3.938811 0.138339 -1.992236
H -1.945454 0.157472 1.863332
H -5.838801 1.486320 -1.008331
H -3.808429 1.486541 2.835887
H -5.763495 2.162598 1.411920


