%chk=000059401.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059401

0 1
 O   0.1072000       2.144600      0.5130000    
 N    2.553700      0.3088000     -7.9499997E-02
 N   -1.618100      0.8256000     -0.1572000    
 N  -0.5320000      0.4548000     -0.8751000    
 C    4.706000     -0.7654000      0.3907000    
 C    3.955800      0.2454000     -0.4749000    
 C    1.819400       1.245000     -0.9189000    
 C    6.175200     -0.8634000     -2.1800000E-02
 C   0.4076000       1.236000     -0.4497000    
 C   -1.275800       1.900200      0.7464000    
 C   -2.720000      2.3100000E-02 -4.1999999E-02
 C    6.937100      -1.841600      0.8581000    
 C   -3.649000      0.1896000       1.014300    
 C   -2.983600      -1.010400     -0.9741000    
 C   -4.773200     -0.6279000       1.131700    
 C   -4.107800      -1.827800     -0.8570000    
 C   -5.002500      -1.636600      0.1960000    
 H    4.235700      -1.753100      0.3027000    
 H    4.641600     -0.4705000       1.445800    
 H    4.423100       1.232500     -0.3728000    
 H    4.033700     -5.6400001E-02  -1.526500    
 H    2.219800       2.261900     -0.8434000    
 H    1.837800      0.9379000      -1.970300    
 H    6.648100      0.1232000      4.6999998E-02
 H    6.248000      -1.186300      -1.066800    
 H    2.492200      0.5992000      0.8965000    
 H   -1.848700       2.809000      0.5359000    
 H   -1.381800       1.624300       1.800800    
 H    7.984300      -1.896700      0.5448000    
 H    6.912400      -1.527700       1.906500    
 H    6.508500      -2.846500      0.7896000    
 H   -3.516600      0.9683000       1.761300    
 H   -2.310100      -1.183200      -1.811200    
 H   -5.471400     -0.4780000       1.950000    
 H   -4.287700      -2.612300      -1.586300    
 H   -5.878300      -2.272500      0.2866000    


%chk=000059401-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059401

0 1
O 0.265254 1.314589 0.852647
N 2.762677 0.010340 -0.044203
N -1.711540 0.357023 0.161212
N -0.711350 0.000636 -0.777326
C 5.132905 -0.567153 0.442221
C 4.135705 -0.014701 -0.593711
C 1.750485 0.536812 -0.987133
C 6.584523 -0.613325 -0.086633
C 0.395822 0.562728 -0.359851
C -1.148769 1.163091 1.270702
C -3.039009 -0.066397 0.042820
C 7.580468 -1.167343 0.954851
C -3.989999 0.302873 1.037569
C -3.451247 -0.861791 -1.064430
C -5.331107 -0.119489 0.916992
C -4.793825 -1.272361 -1.163849
C -5.746290 -0.907838 -0.179834
H 4.805519 -1.580980 0.743351
H 5.099178 0.061909 1.357539
H 4.481290 0.995311 -0.937360
H 4.134913 -0.669542 -1.488557
H 1.994916 1.566849 -1.356155
H 1.695200 -0.121338 -1.872341
H 6.897757 0.405551 -0.393509
H 6.619384 -1.239264 -1.001586
H 2.718283 0.502864 0.859121
H -1.613734 2.165805 1.351649
H -1.186458 0.637249 2.247214
H 8.609770 -1.198955 0.552996
H 7.592187 -0.539300 1.865685
H 7.304076 -2.194144 1.259662
H -3.691115 0.911833 1.898600
H -2.712964 -1.141546 -1.820032
H -6.053464 0.170872 1.688544
H -5.100752 -1.884808 -2.019598
H -6.788089 -1.232961 -0.267069


