%chk=000113518.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113518

0 1
 O    3.736700     -0.7163000     -6.8800002E-02
 O    2.322900      -1.999500      -1.281500    
 N   -2.011300      0.4649000      0.2895000    
 N  -0.8239000       1.838200      -1.092800    
 N   -3.869500      -2.726600      0.5894000    
 C    1.464200      7.7299997E-02 -0.3623000    
 C   7.7799998E-02 -0.4023000     -0.7868000    
 C    1.470200      0.4405000       1.122600    
 C  -0.9300000      0.6601000     -0.5287000    
 C    2.865700      0.8088000       1.620600    
 C   -2.874400       1.614900      0.2164000    
 C   -1.996000       2.598800     -0.5671000    
 C    2.519400     -0.9865000     -0.6191000    
 C   -2.445300     -0.7612000      0.9054000    
 C    3.933300      0.5569000      0.5701000    
 C   -3.439800      -1.467800     -6.8000001E-03
 H    1.736200      0.9529000     -0.9663000    
 H  -0.1706000      -1.348100     -0.3018000    
 H   7.2200000E-02 -0.6042000      -1.865800    
 H    1.102100     -0.4087000       1.714100    
 H   0.7952000       1.277500       1.334100    
 H    2.900400       1.856000       1.941200    
 H    3.083300      0.2035000       2.509400    
 H   -3.134000       2.005700       1.205000    
 H   -3.792700       1.400900     -0.3394000    
 H   -2.551600       3.050600      -1.395100    
 H   -1.634100       3.402700      8.3400004E-02
 H   -1.602900      -1.410400       1.163700    
 H   -2.932600     -0.5248000       1.860400    
 H    3.942800       1.338900     -0.1978000    
 H    4.924400      0.5481000       1.035100    
 H   -4.323800     -0.8451000     -0.1790000    
 H   -2.986500      -1.667300     -0.9846000    
 H   -3.064000      -3.337000      0.7212000    
 H   -4.492200      -3.211100     -5.5599999E-02


%chk=000113518-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113518

0 1
O 3.711714 -0.829309 -0.410154
O 2.009053 -2.354976 -0.353264
N -2.367374 0.398052 0.513066
N -0.699111 1.870289 -0.110241
N -4.079295 -2.886946 -0.330743
C 1.444884 0.010148 0.134879
C 0.006104 -0.474413 0.394935
C 2.028703 0.857502 1.312320
C -1.010929 0.635595 0.249817
C 3.569766 1.046799 1.197267
C -3.138372 1.623975 0.177214
C -1.986411 2.650346 -0.118380
C 2.359949 -1.164418 -0.213544
C -3.012218 -0.904585 0.696473
C 4.075157 0.600745 -0.182217
C -3.453051 -1.588726 -0.629146
H 1.411659 0.682774 -0.748414
H -0.060950 -0.917637 1.408372
H -0.230939 -1.299186 -0.304751
H 1.782102 0.359479 2.268387
H 1.497003 1.823521 1.296202
H 3.854936 2.102497 1.362514
H 4.092812 0.444104 1.962062
H -3.782560 1.929273 1.022951
H -3.788026 1.457728 -0.706659
H -2.112608 3.152371 -1.093724
H -1.933999 3.437268 0.657324
H -2.317730 -1.576992 1.234681
H -3.905021 -0.791241 1.338476
H 3.646828 1.216481 -0.996934
H 5.173474 0.615942 -0.258064
H -4.204311 -0.951169 -1.131474
H -2.570041 -1.646928 -1.309724
H -3.430413 -3.604340 0.005855
H -4.709183 -3.243724 -1.053062


