%chk=000088755.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088755

0 1
 O   -4.024200     -0.4172000      -1.031900    
 N  -1.7800000E-02  0.7971000     -0.3423000    
 N   -4.401300     -0.6321000       1.226000    
 C    1.051300     -5.7700001E-02 -0.1948000    
 C   -1.362300      0.4074000     -0.7097000    
 C    2.154100      0.7213000      0.1617000    
 C   0.3700000       2.085900     -9.1499999E-02
 C   -2.220600      8.4700003E-02  0.5090000    
 C    1.709300       2.071700      0.2229000    
 C    1.125600      -1.446700     -0.3481000    
 C    3.393000      8.5100003E-02  0.3762000    
 C    2.364700      -2.055800     -0.1300000    
 C    3.482100      -1.303700      0.2266000    
 C   -3.623900     -0.3399000      0.1259000    
 H   -1.801700       1.234400      -1.281400    
 H   -1.302300     -0.4453000      -1.395100    
 H  -0.3328000       2.906000     -0.1546000    
 H   -2.291800      0.9608000       1.165400    
 H   -1.764200     -0.7249000       1.091700    
 H    2.304000       2.940200      0.4709000    
 H   0.2612000      -2.042200     -0.6216000    
 H    4.272100      0.6592000      0.6547000    
 H    2.456300      -3.133400     -0.2397000    
 H    4.434900      -1.799900      0.3912000    
 H   -5.364900     -0.9311000       1.119500    
 H   -4.047500     -0.5613000       2.174800    


%chk=000088755-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088755

0 1
O -4.287773 0.550289 -0.631117
N -0.029728 0.845412 -0.441061
N -4.345451 -1.017383 1.077210
C 1.033902 -0.037699 -0.195974
C -1.417019 0.459620 -0.715681
C 2.198992 0.755813 0.110731
C 0.439722 2.160747 -0.283466
C -2.192699 0.085135 0.572178
C 1.792851 2.144709 0.048371
C 1.071557 -1.450957 -0.228995
C 3.426330 0.096873 0.388895
C 2.303768 -2.076181 0.050755
C 3.468392 -1.310473 0.357720
C -3.686493 -0.101169 0.274136
H -1.941251 1.294067 -1.210133
H -1.426417 -0.389191 -1.423399
H -0.232695 3.004593 -0.434769
H -2.089816 0.914397 1.299216
H -1.758490 -0.814982 1.044922
H 2.419785 3.018493 0.216653
H 0.184757 -2.047951 -0.470368
H 4.327251 0.675377 0.622236
H 2.369958 -3.169895 0.029949
H 4.408578 -1.831975 0.569495
H -5.349083 -1.146725 0.946440
H -3.865627 -1.548345 1.801858


