%chk=000164904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164904

1 1
 O    2.338900      0.5768000      0.6924000    
 O    2.458600       2.004900      -1.124300    
 N    1.478900      -2.709800     -0.1960000    
 N    4.421600       1.410100     -2.7600000E-02
 C    1.246100      -1.442900      -1.006500    
 C   0.1415000      -3.366500      0.1143000    
 C    2.343100      -3.672700     -0.9974000    
 C    2.185000      -2.357300       1.105200    
 C   0.3994000     -0.4333000     -0.2890000    
 C  -0.9820000     -0.4729000     -0.4510000    
 C   0.9876000      0.5284000      0.5263000    
 C   -1.783200      0.4587000      0.2091000    
 C   0.1863000       1.460000       1.186500    
 C   -1.199100       1.425100       1.027900    
 C   -3.220200      0.4225000      4.5400001E-02
 C   -4.002100     -0.3417000      0.9117000    
 C   -3.824000       1.152100     -0.9787000    
 C    3.037400       1.386800     -0.2314000    
 C   -5.387600     -0.3764000      0.7539000    
 C   -5.209500       1.117500      -1.136500    
 C   -5.991200      0.3532000     -0.2702000    
 C    5.097900      0.6760000       1.036800    
 C    5.276500       2.201400     -0.9010000    
 H   0.7687000      -1.742000      -1.949300    
 H    2.228200      -1.038500      -1.277700    
 H  -0.4134000      -3.498100     -0.8192000    
 H   0.3443000      -4.345100      0.5620000    
 H  -0.4141000      -2.763000      0.8361000    
 H    3.297900      -3.183900      -1.212900    
 H    2.504000      -4.576100     -0.4016000    
 H    1.818800      -3.917200      -1.925900    
 H    3.113300      -1.831400      0.8705000    
 H    1.523100      -1.779500       1.753400    
 H    2.426800      -3.296800       1.614100    
 H   -1.437400      -1.218800      -1.098800    
 H   0.6345000       2.215200       1.826500    
 H   -1.809000       2.158600       1.550100    
 H   -3.547400     -0.9166000       1.715100    
 H   -3.229500       1.752900      -1.662800    
 H   -5.996400     -0.9715000       1.428200    
 H   -5.679800       1.685500      -1.933800    
 H   -7.070000      0.3262000     -0.3932000    
 H    5.764400     -6.1900001E-02  0.5811000    
 H    4.396000      0.1622000       1.695800    
 H    5.685500       1.381400       1.631700    
 H    5.799700       2.949300     -0.2982000    
 H    4.700300       2.710600      -1.677500    
 H    6.005100       1.537800      -1.375700    


%chk=000164904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164904

1 1
O 2.477805 0.433037 0.744328
O 2.986206 0.963969 -1.508942
N 1.467969 -2.870891 -0.574362
N 4.484019 1.486957 0.228560
C 1.195704 -1.455457 -1.214163
C 0.163013 -3.633247 -0.379193
C 2.366568 -3.641215 -1.536964
C 2.171873 -2.730049 0.771401
C 0.421602 -0.500243 -0.340367
C -0.993365 -0.449520 -0.433422
C 1.062624 0.414461 0.540193
C -1.782090 0.441546 0.339547
C 0.304855 1.307791 1.323390
C -1.099290 1.317489 1.229388
C -3.266213 0.467240 0.213439
C -4.084471 0.743086 1.343348
C -3.897522 0.219022 -1.036875
C 3.320821 1.001935 -0.295791
C -5.490193 0.765557 1.227731
C -5.303149 0.242873 -1.152894
C -6.105827 0.514464 -0.020435
C 4.791624 1.579606 1.669495
C 5.502305 2.031190 -0.696419
H 0.643493 -1.672366 -2.144562
H 2.180739 -1.039955 -1.479924
H -0.318036 -3.781754 -1.358277
H 0.384488 -4.609412 0.079975
H -0.498184 -3.049659 0.276848
H 3.327032 -3.112730 -1.631864
H 2.533877 -4.656361 -1.144896
H 1.876963 -3.697498 -2.521266
H 3.072818 -2.114269 0.643618
H 1.495502 -2.231317 1.479602
H 2.433906 -3.735035 1.137888
H -1.498814 -1.128693 -1.131235
H 0.827848 2.002107 1.987747
H -1.669265 2.042297 1.819264
H -3.623964 0.911974 2.323655
H -3.289025 0.052780 -1.933726
H -6.104861 0.972290 2.110087
H -5.772036 0.065427 -2.126536
H -7.196854 0.535113 -0.110617
H 5.703881 0.998646 1.899727
H 3.956367 1.188833 2.263372
H 4.973707 2.634637 1.945563
H 5.661166 3.105850 -0.493630
H 5.156779 1.910157 -1.732978
H 6.461104 1.498640 -0.560926


