%chk=000086202.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086202

0 1
 O  -0.6912000      0.5688000      -1.445800    
 O  -0.7448000     -0.7271000      0.5211000    
 N   -2.293000       1.783000      0.5674000    
 C  -0.2662000      0.4860000     -7.5400002E-02
 C  -0.8316000       1.686800      0.7176000    
 C   -2.644300       1.879200     -0.8531000    
 C   -2.107400      0.6593000      -1.587800    
 C    1.262800      0.5219000     -1.4700000E-02
 C  -0.2422000      -1.869000     -0.1556000    
 C  -0.7863000      -3.143100      0.4965000    
 C   -2.816500       2.928500       1.309300    
 C    1.909400      0.4561000       1.217200    
 C    2.001400      0.6197000      -1.191500    
 C   -2.313800      -3.197600      0.4243000    
 C  -0.1793000      -4.379800     -0.1624000    
 C    3.302800      0.4887000       1.272800    
 C    3.394900      0.6520000      -1.136000    
 C    4.045500      0.5865000      9.6299998E-02
 H  -0.6065000       1.572800       1.785000    
 H  -0.3633000       2.618400      0.3697000    
 H   -2.220100       2.791500      -1.292500    
 H   -3.732700       1.917000     -0.9758000    
 H   -2.580900     -0.2648000      -1.236500    
 H   -2.324700      0.7472000      -2.657300    
 H   0.8501000      -1.915100     -9.8099999E-02
 H  -0.5315000      -1.853200      -1.213100    
 H  -0.5083000      -3.137400       1.558300    
 H   -2.405300       3.879100      0.9509000    
 H   -2.585800       2.833500       2.376200    
 H   -3.908200       2.972600       1.227000    
 H    1.349900      0.3668000       2.143900    
 H    1.533900      0.6723000      -2.169800    
 H   -2.662400      -3.179200     -0.6140000    
 H   -2.765300      -2.348600      0.9480000    
 H   -2.691600      -4.113100      0.8918000    
 H  -0.4367000      -4.431500      -1.225800    
 H  -0.5424000      -5.294400      0.3183000    
 H   0.9124000      -4.370300     -7.7799998E-02
 H    3.809600      0.4345000       2.231800    
 H    3.973900      0.7278000      -2.051800    
 H    5.130400      0.6108000      0.1394000    


%chk=000086202-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086202

0 1
O -0.586925 0.503707 -1.513707
O -0.625450 -0.765735 0.548299
N -2.265290 1.717398 0.505030
C -0.164249 0.460687 -0.105694
C -0.801656 1.628998 0.692755
C -2.611031 1.809748 -0.928743
C -2.058678 0.578245 -1.654335
C 1.363508 0.572399 -0.096700
C -0.190516 -2.025784 -0.095981
C -0.940436 -3.177068 0.595131
C -2.861686 2.790578 1.318276
C 2.064912 0.217901 1.083066
C 2.081516 1.071578 -1.208723
C -2.469408 -3.037560 0.418683
C -0.425613 -4.531796 0.053666
C 3.468069 0.358770 1.149619
C 3.487222 1.208838 -1.142884
C 4.184480 0.856487 0.035612
H -0.582858 1.473570 1.763754
H -0.283053 2.567081 0.366330
H -2.198272 2.738217 -1.404707
H -3.712512 1.834999 -1.033150
H -2.516035 -0.337276 -1.234149
H -2.234359 0.630977 -2.741292
H 0.906682 -2.144898 0.017039
H -0.428560 -1.989651 -1.178440
H -0.709305 -3.117165 1.678403
H -2.490892 3.813257 1.049147
H -2.635027 2.616196 2.385386
H -3.959912 2.781906 1.196931
H 1.504859 -0.183165 1.936098
H 1.532923 1.335279 -2.117051
H -2.748482 -3.129308 -0.650155
H -2.811611 -2.054304 0.785208
H -3.005351 -3.828549 0.975510
H -0.618473 -4.621508 -1.033023
H -0.938981 -5.372298 0.555308
H 0.662205 -4.650827 0.217204
H 4.001798 0.079251 2.065136
H 4.037234 1.591567 -2.010280
H 5.273907 0.965857 0.085423


