%chk=000096213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096213

0 1
 O    4.191500     -0.8094000      1.3600000E-02
 N    2.374200      0.5998000     -0.2981000    
 N   -1.221200     -0.1216000     -0.6331000    
 N   -1.772100      3.6400001E-02  0.4826000    
 N   -5.389700     -0.6360000      0.1421000    
 N   -3.565200      -2.117200      0.4626000    
 N   -7.215700      0.8610000     -0.1753000    
 C    6.438000      3.3000000E-03  0.1737000    
 C    7.336600       1.236700      0.1880000    
 C    4.972400      0.3776000      3.8000001E-03
 C    8.794300      0.8616000      0.4010000    
 C    2.838200     -0.6608000     -0.1464000    
 C    2.034100      -1.788900     -0.1439000    
 C   0.1490000     -0.3304000     -0.4666000    
 C   0.6646000      -1.611900     -0.3076000    
 C    1.037900      0.7325000     -0.4547000    
 C   -3.151500      0.2469000      0.3145000    
 C   -4.056800     -0.7976000      0.3001000    
 C   -3.633300       1.538600      0.1582000    
 C   -4.998400       1.745100     -6.8000001E-03
 C   -5.827000      0.6345000     -7.6000001E-03
 H    6.737400     -0.6759000     -0.6343000    
 H    6.560200     -0.5659000       1.103800    
 H    7.238300       1.780100     -0.7589000    
 H    7.022300       1.918000      0.9873000    
 H    4.665100       1.033000      0.8283000    
 H    4.841800      0.9058000     -0.9491000    
 H    8.931500      0.3466000       1.357200    
 H    9.150800      0.2037000     -0.3981000    
 H    9.420000       1.759500      0.4062000    
 H    2.452100      -2.781800     -1.8700000E-02
 H   7.7999998E-03  -2.477700     -0.3107000    
 H   0.6943000       1.755400     -0.5751000    
 H   -2.958100       2.389800      0.1643000    
 H   -5.387700       2.750500     -0.1295000    
 H   -4.244100      -2.868000      0.4405000    
 H   -2.617300      -2.315300      0.1669000    
 H   -7.637600       1.388800      0.5841000    
 H   -7.458000       1.257700      -1.079200    


%chk=000096213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096213

0 1
O 4.343776 -0.183869 -0.997955
N 2.315045 0.227977 0.159710
N -1.240885 -0.130597 -1.079053
N -1.867491 0.144145 0.051642
N -5.321541 0.493490 1.314784
N -3.238164 0.653427 2.369860
N -7.423165 0.346332 0.330359
C 6.548817 0.072114 -0.031372
C 7.400848 0.459621 1.200547
C 5.052345 0.207238 0.252211
C 8.915356 0.321310 0.935399
C 2.958647 -0.152351 -0.977679
C 2.286162 -0.525247 -2.174392
C 0.179263 -0.123853 -0.989440
C 0.886047 -0.505851 -2.169772
C 0.954245 0.240194 0.147348
C -3.266843 0.163193 -0.016551
C -3.960372 0.438234 1.224840
C -4.065204 -0.057626 -1.176870
C -5.458096 -0.004674 -1.096861
C -6.051808 0.277471 0.182388
H 6.817278 0.715730 -0.891322
H 6.771103 -0.971021 -0.328382
H 7.170142 1.503465 1.495513
H 7.116052 -0.178308 2.061919
H 4.719738 -0.454743 1.073485
H 4.766641 1.243001 0.515173
H 9.176477 -0.719384 0.666200
H 9.232482 0.973134 0.099794
H 9.507890 0.599800 1.825921
H 2.866020 -0.813486 -3.054422
H 0.307866 -0.781355 -3.057399
H 0.455164 0.555408 1.068489
H -3.551362 -0.266218 -2.120164
H -6.088173 -0.169883 -1.976501
H -3.724850 0.846398 3.241203
H -2.221524 0.611003 2.305941
H -7.797738 0.550099 1.254674
H -8.051491 0.200184 -0.454164


