%chk=000031676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031676

0 1
 N    5.006500     -0.1560000     -5.8200002E-02
 N   -4.802500      0.5790000     -1.8800000E-02
 C    1.180400      0.3982000      6.4499997E-02
 C  -1.2800000E-02 -0.5593000      3.3199999E-02
 C    2.536200     -0.3168000      2.0900000E-02
 C   -1.337200      0.2067000     -1.0800000E-02
 C    3.761300      0.5996000     -6.3000000E-03
 C   -2.532000     -0.7465000     -9.7000003E-03
 C   -3.799800     -4.9000001E-03 -1.4900000E-02
 H    1.129700       1.016100      0.9694000    
 H    1.116800       1.082900     -0.7903000    
 H   6.1600000E-02  -1.210900     -0.8458000    
 H   1.5300000E-02  -1.205300      0.9188000    
 H    2.607200     -0.9832000      0.8907000    
 H    2.558700     -0.9635000     -0.8663000    
 H   -1.368400      0.8405000     -0.9064000    
 H   -1.399800      0.8798000      0.8540000    
 H    3.766200       1.232000      0.8880000    
 H    3.706400       1.262700     -0.8767000    
 H   -2.492500      -1.392000      0.8754000    
 H   -2.486300      -1.400900     -0.8878000    
 H    5.791300      0.4897000     -0.1343000    
 H    5.024900     -0.7294000     -0.9004000    


%chk=000031676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031676

0 1
N 5.033085 -0.158218 -0.047241
N -4.912332 0.524719 0.040477
C 1.206736 0.421329 -0.012994
C -0.012595 -0.527953 -0.004048
C 2.555236 -0.332072 -0.024926
C -1.358088 0.229959 0.010676
C 3.773838 0.613277 -0.039313
C -2.568201 -0.746527 0.020521
C -3.868245 -0.053566 0.031746
H 1.163199 1.081608 0.878058
H 1.145700 1.088264 -0.898344
H 0.030967 -1.188112 -0.895456
H 0.048444 -1.193255 0.882126
H 2.637896 -0.990196 0.861558
H 2.596861 -0.994561 -0.916223
H -1.429230 0.889139 -0.875558
H -1.411838 0.885353 0.900874
H 3.758444 1.231393 0.879506
H 3.667453 1.319525 -0.901230
H -2.512560 -1.406058 0.908473
H -2.527697 -1.405130 -0.868966
H 5.876080 0.398500 0.122617
H 5.138048 -0.768917 -0.864133


