%chk=000088575.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088575

0 1
 O   0.1645000      -1.771200     -0.5881000    
 N    4.161900      0.4545000      0.9605000    
 N    2.370600      -1.681100      -1.222800    
 N    1.045700      0.2940000     -0.8592000    
 C    4.720600      -1.399300     -0.5848000    
 C    4.379300     -0.9826000      0.8475000    
 C    3.626000      -1.034700      -1.589300    
 C    1.240800      -1.002500     -0.9040000    
 C  -0.8079000     -0.8569000     -0.3167000    
 C  -0.2689000      0.3947000     -0.4823000    
 C   -2.084900      -1.393800      5.4699998E-02
 C  -0.9555000       1.635100     -0.2957000    
 C    5.369000       1.190100      0.5797000    
 C    3.759900      0.8099000       2.322800    
 C   -3.259300     -0.6937000     -0.2421000    
 C   -2.166900      -2.622600      0.7183000    
 C  -0.9600000       2.255500      0.9572000    
 C   -1.626800       2.235800      -1.364800    
 C   -4.500800      -1.216100      0.1205000    
 C   -3.408400      -3.145200       1.080800    
 C   -1.629600       3.465500       1.139300    
 C   -2.296300       3.445900      -1.182800    
 C   -4.575300      -2.441800      0.7819000    
 C   -2.297700       4.060600      6.9300003E-02
 H    4.851500      -2.489900     -0.5906000    
 H    5.681700     -0.9898000     -0.9130000    
 H    5.192500      -1.308100       1.510400    
 H    3.484000      -1.524400       1.176900    
 H    3.919600      -1.398300      -2.580700    
 H    3.516100      5.2000001E-02  -1.677400    
 H    2.369600      -2.697500      -1.217400    
 H    5.575800       1.113900     -0.4920000    
 H    6.252500      0.8608000       1.138600    
 H    5.235400       2.262300      0.7687000    
 H    3.546900       1.882400       2.394300    
 H    4.530900      0.5599000       3.060600    
 H    2.835400      0.2901000       2.598400    
 H   -3.257100      0.2436000     -0.7835000    
 H   -1.273700      -3.189400      0.9710000    
 H  -0.4436000       1.805500       1.802100    
 H   -1.634300       1.771600      -2.348500    
 H   -5.410200     -0.6726000     -0.1189000    
 H   -3.466700      -4.098900       1.597200    
 H   -1.630700       3.944300       2.114100    
 H   -2.816300       3.909600      -2.015900    
 H   -5.542000      -2.849300       1.063000    
 H   -2.819000       5.002800      0.2109000    


%chk=000088575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088575

0 1
O -0.049588 -2.114018 -0.362332
N 4.600579 0.899030 0.277867
N 2.226218 -2.078125 -0.969565
N 0.936996 -0.045550 -0.541963
C 4.596361 -1.537774 -0.286934
C 4.369824 -0.467299 0.806038
C 3.505675 -1.467756 -1.381426
C 1.111745 -1.361625 -0.641425
C -1.061821 -1.119394 -0.075060
C -0.431403 0.124732 -0.170193
C -2.404535 -1.653887 0.143500
C -0.917793 1.490355 0.104392
C 6.023387 1.285653 0.275356
C 3.732278 1.926525 0.889384
C -3.569342 -0.894626 -0.170299
C -2.572183 -2.981233 0.636644
C -1.979767 1.757165 1.012606
C -0.259491 2.588660 -0.516160
C -4.854367 -1.437472 0.030428
C -3.860413 -3.520491 0.828736
C -2.390264 3.082638 1.266059
C -0.675290 3.912579 -0.263970
C -5.010534 -2.751136 0.534284
C -1.746737 4.167472 0.624119
H 4.617089 -2.549263 0.167426
H 5.584126 -1.379982 -0.762525
H 5.017616 -0.684843 1.691919
H 3.321939 -0.530938 1.152256
H 3.848658 -1.973595 -2.304308
H 3.321073 -0.405222 -1.616732
H 2.140763 -3.094110 -0.949555
H 6.626618 0.534348 -0.265390
H 6.452897 1.392143 1.305205
H 6.145758 2.252182 -0.246163
H 3.889807 2.893512 0.376398
H 3.927158 2.085042 1.980465
H 2.676883 1.635649 0.752520
H -3.464735 0.109497 -0.592765
H -1.684941 -3.580192 0.864870
H -2.468459 0.930612 1.538518
H 0.579593 2.380339 -1.187699
H -5.736926 -0.838601 -0.221393
H -3.967512 -4.541932 1.211079
H -3.206066 3.270050 1.973485
H -0.161925 4.745935 -0.756972
H -6.011280 -3.170254 0.685899
H -2.069374 5.195899 0.821580


