%chk=000162954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162954

0 1
 O   0.5544000       2.116800       1.529600    
 N  -0.7136000       1.949400     -0.4047000    
 N    2.004600       3.335100      -1.000700    
 C   -2.000400       1.968100      0.2488000    
 C   -3.043600       1.168300     -0.5472000    
 C    1.702900       1.961000     -0.5982000    
 C    2.900400       1.361700      0.1536000    
 C   0.4755000       2.026800      0.3054000    
 C   -2.457700       3.410900      0.4396000    
 C   -2.904000     -0.3249000     -0.3684000    
 C    2.885900     -0.1488000      0.1696000    
 C   -2.088800      -1.038700      -1.232100    
 C   -3.593900     -0.9533000      0.6557000    
 C    2.243600     -0.8102000       1.203700    
 C    3.515400     -0.8441000     -0.8500000    
 C   -1.960100      -2.417800      -1.067400    
 C   -3.465200      -2.332500      0.8206000    
 C    2.230600      -2.205000       1.218800    
 C    3.502400      -2.238900     -0.8351000    
 C   -2.648400      -3.064700     -4.1000001E-02
 C    2.859900      -2.919200      0.1993000    
 H   -1.884700       1.526400       1.247000    
 H   -2.996200       1.419600      -1.615400    
 H   -4.055300       1.453000     -0.2272000    
 H    1.477500       1.370500      -1.494300    
 H  -0.6866000       1.945000      -1.420400    
 H    3.837400       1.675200     -0.3293000    
 H    2.977600       1.742400       1.180700    
 H   -1.726100       3.982700       1.021000    
 H   -3.413800       3.452700      0.9717000    
 H   -2.580200       3.917700     -0.5242000    
 H    1.234300       3.704100      -1.557600    
 H    2.821400       3.341500      -1.610700    
 H   -1.548500     -0.5448000      -2.034500    
 H   -4.230300     -0.3917000       1.333400    
 H    1.755600     -0.2673000       2.007200    
 H    4.016000     -0.3238000      -1.661400    
 H   -1.323100      -2.987600      -1.737400    
 H   -4.000300      -2.836100       1.620400    
 H    1.731000      -2.734800       2.024600    
 H    3.991600      -2.795100      -1.629300    
 H   -2.547500      -4.138400      8.7899998E-02
 H    2.849400      -4.005100      0.2108000    


%chk=000162954-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162954

0 1
O 0.628683 2.472325 1.373331
N -0.768045 1.741333 -0.335734
N 1.919532 3.087710 -1.471521
C -2.014081 1.867603 0.456095
C -3.175675 1.155659 -0.290314
C 1.652150 1.807480 -0.793926
C 2.924903 1.358627 -0.025578
C 0.476003 2.030045 0.193986
C -2.352273 3.348493 0.733697
C -2.887477 -0.288715 -0.683954
C 2.836775 -0.063745 0.507743
C -2.918123 -0.686220 -2.045380
C -2.576218 -1.266499 0.297777
C 2.362358 -0.318008 1.821389
C 3.209416 -1.167777 -0.303212
C -2.646793 -2.023345 -2.420402
C -2.301851 -2.600611 -0.071656
C 2.266735 -1.640746 2.310150
C 3.113056 -2.491905 0.181436
C -2.335860 -2.984978 -1.433363
C 2.640793 -2.732824 1.492579
H -1.835418 1.368817 1.430515
H -3.429836 1.745103 -1.193527
H -4.059969 1.202958 0.374267
H 1.366054 0.983906 -1.498356
H -0.813182 1.225347 -1.218621
H 3.784722 1.446932 -0.719653
H 3.071766 2.084108 0.793303
H -1.514035 3.832219 1.260504
H -3.255433 3.424115 1.367285
H -2.541654 3.890227 -0.211408
H 1.121011 3.541005 -1.919433
H 2.783674 3.124022 -2.015896
H -3.170199 0.053064 -2.816840
H -2.544189 -0.981173 1.356562
H 2.064009 0.529018 2.449469
H 3.589222 -0.986900 -1.317441
H -2.679224 -2.311372 -3.477355
H -2.057619 -3.339790 0.699373
H 1.905023 -1.818710 3.329641
H 3.410564 -3.331817 -0.457258
H -2.121595 -4.020699 -1.719304
H 2.571400 -3.758179 1.873932


