%chk=000056537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056537

0 1
 O   0.9870000     -0.8250000      -1.298800    
 N    2.636500      0.2102000     -3.9400000E-02
 N  -0.7636000      -1.065400      0.6821000    
 C   0.4933000     -0.4385000       1.013000    
 C    1.378500     -0.3764000     -0.2179000    
 C    3.600900      0.3415000      -1.129100    
 C    3.078900      0.7339000       1.246900    
 C   -1.860900     -0.3144000      0.2366000    
 C    4.507000     -0.8753000      -1.210000    
 C    2.701800       2.197400       1.402900    
 C  -0.8756000      -2.520000      0.8066000    
 C   -3.153900     -0.8442000      0.3059000    
 C   -1.672000      0.9713000     -0.2817000    
 C   -4.245000     -9.7199999E-02 -0.1379000    
 C   -2.763200       1.718200     -0.7256000    
 C   -4.049700       1.183900     -0.6536000    
 H   0.9980000      -1.052100       1.768200    
 H   0.3450000      0.5496000       1.456200    
 H    3.049600      0.4337000      -2.071500    
 H    4.185500       1.258400     -0.9989000    
 H    2.659100      0.1588000       2.074800    
 H    4.166600      0.6206000       1.323400    
 H    5.086000      -1.001200     -0.2896000    
 H    3.925000      -1.790000      -1.364700    
 H    5.208900     -0.7717000      -2.043200    
 H    3.187200       2.811500      0.6371000    
 H    1.623900       2.358200       1.313900    
 H    3.021500       2.567400       2.382200    
 H   0.1106000      -2.982400      0.9277000    
 H   -1.322300      -2.962300     -9.0899996E-02
 H   -1.471500      -2.788500       1.685100    
 H   -3.352700      -1.832200      0.7108000    
 H  -0.6906000       1.427400     -0.3680000    
 H   -5.247300     -0.5116000     -7.9800002E-02
 H   -2.611700       2.715100      -1.129300    
 H   -4.899300       1.765600     -0.9991000    


%chk=000056537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056537

0 1
O 1.112925 -1.236826 -1.143175
N 2.579107 0.176484 -0.018361
N -0.808415 -1.188177 0.906427
C 0.523385 -0.665441 1.178452
C 1.423030 -0.591114 -0.094596
C 3.449214 0.251612 -1.219791
C 3.020407 0.915289 1.186726
C -1.804920 -0.354023 0.364488
C 4.519775 -0.859478 -1.245638
C 2.589487 2.399895 1.191265
C -0.972724 -2.648384 0.848130
C -3.092016 -0.881496 0.032062
C -1.588829 1.044280 0.150969
C -4.112976 -0.043343 -0.458437
C -2.621719 1.869782 -0.336867
C -3.897077 1.341804 -0.642327
H 1.022960 -1.333788 1.907260
H 0.444062 0.322792 1.666663
H 2.799200 0.159590 -2.106120
H 3.922606 1.251527 -1.237251
H 2.646495 0.408594 2.092928
H 4.124570 0.850653 1.233289
H 5.171719 -0.818392 -0.353117
H 4.034812 -1.849542 -1.282548
H 5.160316 -0.754618 -2.140593
H 2.968088 2.924340 0.295924
H 1.489080 2.496857 1.199418
H 2.987490 2.915203 2.084760
H -0.077439 -3.131269 1.271904
H -1.086780 -3.005775 -0.193972
H -1.848312 -2.978195 1.440901
H -3.297203 -1.948611 0.152476
H -0.607147 1.492058 0.333041
H -5.087990 -0.482117 -0.702104
H -2.419921 2.936523 -0.492131
H -4.693758 1.987606 -1.025655


