%chk=000046379.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046379

0 1
 O  -0.9396000      -1.332400      0.1861000    
 O    6.259200       1.207500      0.5058000    
 O    4.227400       1.383100       1.494300    
 N  -0.4489000      0.8192000     -0.3303000    
 C    4.477800     -0.1535000     -0.3878000    
 C    3.039100     -0.5190000     -0.2233000    
 C   0.7143000      9.4599999E-02 -0.2313000    
 C    2.056500      0.4674000     -0.3919000    
 C   0.4178000      -1.223000      8.5000001E-02
 C    2.696200      -1.838600      9.6199997E-02
 C    1.362100      -2.227100      0.2599000    
 C   -1.382700     -7.0799999E-02 -7.5300001E-02
 C    4.831800      0.3657000      -1.795300    
 C   -2.809100      9.6199997E-02 -3.1099999E-02
 C    4.946200      0.8821000      0.6393000    
 C   -3.635600     -0.9918000      0.2640000    
 C   -3.378800       1.347300     -0.2832000    
 C   -5.584500      0.4204000      5.4000001E-02
 C   -5.020400     -0.8300000      0.3064000    
 C   -4.763700       1.509100     -0.2407000    
 C   -7.065100      0.5936000      9.9200003E-02
 H    5.092100      -1.045200     -0.2012000    
 H    2.311700       1.492400     -0.6404000    
 H    3.470600      -2.592200      0.2234000    
 H    1.086300      -3.244600      0.5068000    
 H    4.475000     -0.3274000      -2.565100    
 H    4.383900       1.346800      -1.989400    
 H    5.915100      0.4702000      -1.919200    
 H   -3.235200      -1.982200      0.4660000    
 H   -2.759700       2.210500     -0.5157000    
 H   -5.649800      -1.686000      0.5353000    
 H   -5.191600       2.487800     -0.4409000    
 H   -7.495100      0.4102000     -0.8904000    
 H   -7.522300     -9.8600000E-02  0.8144000    
 H   -7.335000       1.606500      0.4170000    
 H    6.539200       1.874600       1.168300    


%chk=000046379-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046379

0 1
O -0.876953 -1.460648 0.211597
O 5.604715 0.646868 1.575392
O 4.751443 2.307818 0.196794
N -0.437262 0.759239 -0.321982
C 4.616973 -0.069892 -0.514503
C 3.149856 -0.470727 -0.283405
C 0.787718 0.049112 -0.245253
C 2.113878 0.484268 -0.432924
C 0.519925 -1.311746 0.082044
C 2.846974 -1.823990 0.050518
C 1.518978 -2.276395 0.238855
C -1.386133 -0.133109 -0.054062
C 4.886907 0.315131 -1.991412
C -2.830810 0.049387 0.005447
C 4.977356 1.095564 0.404331
C -3.702348 -1.031885 0.304731
C -3.380387 1.338410 -0.236879
C -5.655636 0.459381 0.114410
C -5.093812 -0.821791 0.358054
C -4.771909 1.533448 -0.179899
C -7.157643 0.672586 0.143457
H 5.258628 -0.920016 -0.226769
H 2.331007 1.529531 -0.673104
H 3.670526 -2.537127 0.168671
H 1.294315 -3.314863 0.494329
H 4.592944 -0.515366 -2.655919
H 4.308629 1.211503 -2.271434
H 5.957387 0.534647 -2.154155
H -3.282322 -2.024095 0.495668
H -2.701023 2.166833 -0.461696
H -5.757015 -1.662712 0.593242
H -5.184100 2.532702 -0.364187
H -7.592819 0.554446 -0.868283
H -7.658979 -0.056880 0.803161
H -7.416264 1.687548 0.493148
H 5.782456 1.425622 2.170918


