%chk=000052772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052772

0 1
 O    3.145700      -1.059600      -1.695100    
 N    2.708700       1.092800      0.2138000    
 N    2.594200       2.985800     -0.8446000    
 C    3.234200     -0.2412000      0.6365000    
 C    2.739700      -1.359700     -0.3557000    
 C    2.872200     -0.6091000       2.102600    
 C    4.790400     -0.1882000      0.6263000    
 C    1.242800      -1.620700     -0.3568000    
 C   0.4326000     -0.8709000      -1.186700    
 C   0.7342000      -2.601100      0.4725000    
 C    1.591600       1.651100      0.6886000    
 C    3.295400       1.884700     -0.6896000    
 C   -1.477600      -2.096000     -0.3582000    
 C  -0.9415000      -1.110900      -1.187300    
 C  -0.6399000      -2.841100      0.4718000    
 C   -2.946600      -2.353200     -0.3595000    
 C    1.531100       2.846800      1.2100000E-02
 C   -3.733100      -1.509700      0.6636000    
 C   -3.626700     -2.4599999E-02  0.4168000    
 C   -2.602600      0.6922000       1.015800    
 C   -4.554600      0.5963000     -0.4047000    
 C   -2.504000       2.064700      0.7876000    
 C   -4.455800       1.968900     -0.6329000    
 C   -3.430500       2.702900     -3.6699999E-02
 H    3.240600      -2.303800     -0.1004000    
 H    1.792700     -0.6743000       2.267300    
 H    3.304000      -1.576100       2.385100    
 H    3.254800      0.1454000       2.800400    
 H    5.214600     -4.0199999E-02 -0.3711000    
 H    5.212000      -1.128000       1.003200    
 H    5.163600      0.6208000       1.266300    
 H   0.8269000     -0.1008000      -1.842400    
 H    1.377900      -3.187100       1.121400    
 H   0.9307000       1.213700       1.422800    
 H    4.201300       1.662400      -1.235200    
 H    4.101200      -1.223700      -1.760800    
 H   -3.347200      -2.179300      -1.367400    
 H   -3.131900      -3.415800     -0.1554000    
 H   -1.579400     -0.5278000      -1.846300    
 H   -1.045700      -3.610000       1.123900    
 H   -3.386600      -1.735600       1.680900    
 H   -4.788800      -1.809000      0.6386000    
 H   0.7744000       3.613100      9.6400000E-02
 H   -1.879300      0.2090000       1.666600    
 H   -5.354900      3.2600001E-02 -0.8753000    
 H   -1.707600       2.637000       1.254200    
 H   -5.176800       2.465900      -1.275400    
 H   -3.353600       3.771600     -0.2140000    


%chk=000052772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052772

0 1
O 3.264403 -1.000408 -1.781060
N 2.610602 0.845393 0.616758
N 1.717276 2.773733 -0.202632
C 3.417898 -0.410523 0.667910
C 2.906367 -1.449768 -0.423762
C 3.309011 -1.052766 2.068548
C 4.904003 -0.058716 0.390558
C 1.404111 -1.684506 -0.401510
C 0.537228 -0.915563 -1.215596
C 0.843147 -2.673137 0.444000
C 1.755932 1.356080 1.608935
C 2.545745 1.740251 -0.456290
C -1.432280 -2.062109 -0.276927
C -0.857725 -1.110004 -1.159073
C -0.556260 -2.851229 0.511904
C -2.939231 -2.211000 -0.142203
C 1.223363 2.536978 1.090733
C -3.578559 -1.178126 0.856130
C -3.645633 0.239495 0.306451
C -2.588859 1.165097 0.509065
C -4.762536 0.651051 -0.468190
C -2.638208 2.458954 -0.058433
C -4.821398 1.946494 -1.029828
C -3.755589 2.855052 -0.828883
H 3.433462 -2.400723 -0.190045
H 2.275466 -1.354038 2.305692
H 3.946096 -1.954136 2.111261
H 3.665184 -0.354201 2.845692
H 5.023667 0.513786 -0.544157
H 5.515334 -0.979113 0.326413
H 5.304796 0.559887 1.211666
H 0.963131 -0.178892 -1.901372
H 1.498670 -3.318883 1.042410
H 1.603565 0.865867 2.564293
H 3.075065 1.574935 -1.389617
H 4.231913 -1.148184 -1.927257
H -3.432081 -2.092647 -1.125774
H -3.179557 -3.228454 0.222596
H -1.511816 -0.502986 -1.794376
H -0.973487 -3.618631 1.175997
H -3.000463 -1.202477 1.799242
H -4.601165 -1.531846 1.091524
H 0.533090 3.229776 1.567954
H -1.711361 0.867622 1.095280
H -5.592981 -0.048941 -0.628568
H -1.798090 3.146800 0.088207
H -5.694358 2.247069 -1.620981
H -3.794086 3.857887 -1.269082


