%chk=000161856.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161856

1 1
 O   -7.322500       1.179000     -0.9960000    
 N    3.443800      -1.048800     -0.7132000    
 N   -2.889300      -1.685100      0.7561000    
 C    4.456800      0.8503000     -2.0500001E-02
 C    2.552700     -0.3301000     -8.1799999E-02
 C    4.657500     -0.3228000     -0.6908000    
 C    3.160200      0.9223000      0.3967000    
 C    5.423100       1.825800      0.1990000    
 C    3.378700      -2.371600      -1.340700    
 C    1.148800     -0.6802000      0.1340000    
 C    5.901600     -0.6185000      -1.210900    
 C    2.710600       2.029100       1.084600    
 C    6.700600       1.537600     -0.3248000    
 C    4.983500       2.961700      0.9106000    
 C    6.927300      0.3265000      -1.020300    
 C    3.639400       3.053600       1.343100    
 C    3.721400      -3.429100     -0.3134000    
 C   0.1780000     -0.3088000     -0.8015000    
 C   0.7669000      -1.388300       1.278100    
 C   -1.535700      -1.348400      0.5477000    
 C   -1.160700     -0.6418000     -0.5952000    
 C  -0.5719000      -1.721500       1.484400    
 C   -4.023700     -0.9517000      0.3073000    
 C   -3.126700      -2.755100       1.738300    
 C   -3.937000      0.4269000      0.1695000    
 C   -5.201800      -1.625600      1.4500000E-02
 C   -5.049200       1.145300     -0.2693000    
 C   -6.314100     -0.9072000     -0.4243000    
 C   -6.237700      0.4783000     -0.5663000    
 C   -7.455300       2.520900     -0.5297000    
 C   -8.925200       2.877400     -0.4654000    
 H    2.357100      -2.520800      -1.706700    
 H    4.041700      -2.408000      -2.210700    
 H    6.110800      -1.537500      -1.746000    
 H    1.683800       2.116700       1.420300    
 H    7.517900       2.242900     -0.1998000    
 H    5.671400       3.774500       1.128000    
 H    7.919200      0.1221000      -1.416900    
 H    3.317700       3.938800       1.886800    
 H    4.739600      -3.306800      7.1800001E-02
 H    3.037100      -3.404600      0.5413000    
 H    3.654000      -4.424500     -0.7645000    
 H   0.4592000      0.2340000      -1.700600    
 H    1.508400      -1.679500       2.018000    
 H   -1.874400     -0.3706000      -1.367900    
 H  -0.8038000      -2.252900       2.401600    
 H   -2.982300      -2.378600       2.758400    
 H   -4.139500      -3.167100       1.718500    
 H   -2.465900      -3.613400       1.563500    
 H   -3.041200      0.9842000      0.4265000    
 H   -5.287500      -2.706300      6.7599997E-02
 H   -4.941700       2.219900     -0.3842000    
 H   -7.234400      -1.432900     -0.6640000    
 H   -7.042800       2.645200      0.4795000    
 H   -6.940200       3.195400      -1.222600    
 H   -9.064100       3.906100     -0.1208000    
 H   -9.391500       2.769300      -1.450300    
 H   -9.456600       2.202400      0.2137000    


%chk=000161856-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161856

1 1
O -7.356895 1.452131 -0.570307
N 3.626488 -1.216315 -0.293411
N -2.954249 -1.943211 0.528343
C 4.414451 0.925055 -0.305191
C 2.516896 -0.387493 -0.098072
C 4.811352 -0.425768 -0.423065
C 3.009870 1.001780 -0.099759
C 5.304871 2.021434 -0.358231
C 3.644149 -2.682890 -0.513981
C 1.150128 -0.821599 0.066839
C 6.156950 -0.743143 -0.639235
C 2.448728 2.278073 0.117675
C 6.689906 1.699094 -0.579310
C 4.702833 3.310590 -0.173440
C 7.081481 0.354999 -0.719427
C 3.314708 3.414884 0.065540
C 4.163022 -3.478631 0.701829
C 0.080669 0.012539 -0.414122
C 0.771696 -2.042689 0.717292
C -1.627827 -1.568107 0.393876
C -1.256118 -0.345326 -0.269141
C -0.565238 -2.403516 0.886052
C -4.046025 -1.033136 0.246403
C -3.302303 -3.291965 1.036372
C -4.170855 0.185288 0.955132
C -5.031288 -1.388122 -0.713300
C -5.257036 1.051153 0.711251
C -6.118849 -0.536614 -0.958123
C -6.240684 0.690248 -0.249209
C -7.569730 2.738272 0.142454
C -8.860025 3.337380 -0.405522
H 2.626230 -2.999355 -0.792962
H 4.292461 -2.870178 -1.389670
H 6.523605 -1.768994 -0.741037
H 1.387564 2.422551 0.340072
H 7.440046 2.494913 -0.633757
H 5.318087 4.216705 -0.203957
H 8.138347 0.124475 -0.887528
H 2.879896 4.406917 0.224376
H 5.192816 -3.185707 0.968410
H 3.532362 -3.327937 1.595139
H 4.167431 -4.556254 0.461977
H 0.320925 0.916972 -0.981611
H 1.536340 -2.681332 1.168430
H -2.035640 0.289483 -0.697811
H -0.796073 -3.322384 1.430319
H -3.033817 -3.398495 2.105165
H -4.388247 -3.433192 0.945799
H -2.790541 -4.080912 0.456907
H -3.427754 0.448391 1.715877
H -4.934695 -2.322846 -1.276324
H -5.337640 1.980922 1.280426
H -6.884386 -0.790391 -1.696809
H -7.644217 2.538391 1.230421
H -6.701379 3.401955 -0.044741
H -9.068896 4.300113 0.094568
H -8.779171 3.518842 -1.490322
H -9.712633 2.661051 -0.227271


