%chk=000027387.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027387

0 1
 O    4.409600       1.808900      0.8741000    
 N    2.305400       1.022400     -0.7407000    
 N    3.509800      0.3385000     -0.6791000    
 N    8.157300      -1.416600      0.1514000    
 C   -3.848200     -0.2212000      1.0900000E-02
 C   -5.188500      0.5025000     -0.1358000    
 C   -2.640400      0.6616000     -0.3164000    
 C   -6.361200     -0.4440000      0.1318000    
 C   -7.702200      0.2850000      1.7500000E-02
 C   -1.299000     -5.4800000E-02 -0.1459000    
 C   -8.874100     -0.6705000      0.2529000    
 C  -0.1295000      0.8648000     -0.5075000    
 C   -10.23960      1.6000001E-02  0.1801000    
 C    1.207100      0.1370000     -0.3724000    
 C   -11.41010     -0.9413000      0.3426000    
 C    4.501900      0.8127000      0.1609000    
 C    5.770800      3.9000001E-02  0.1574000    
 C    6.971000      0.6649000      0.4755000    
 C    5.762500      -1.313900     -0.1636000    
 C    8.126000     -0.1003000      0.4583000    
 C    6.971500      -1.990600     -0.1522000    
 H   -3.751600     -0.5967000       1.037200    
 H   -3.835300      -1.097700     -0.6490000    
 H   -5.274000      0.9149000      -1.148300    
 H   -5.225400       1.347300      0.5624000    
 H   -2.731200       1.020400      -1.349200    
 H   -2.660100       1.548400      0.3294000    
 H   -6.263900     -0.8766000       1.135000    
 H   -6.331700      -1.275100     -0.5833000    
 H   -1.278900     -0.9461000     -0.7846000    
 H   -1.194300     -0.3966000      0.8909000    
 H   -7.794000      0.7372000     -0.9773000    
 H   -7.741300       1.100900      0.7492000    
 H   -8.836900      -1.474800     -0.4925000    
 H   -8.765700      -1.145400       1.235900    
 H  -0.1412000       1.746800      0.1453000    
 H  -0.2541000       1.223200      -1.537200    
 H   -10.33700      0.5286000     -0.7844000    
 H   -10.29980      0.7874000      0.9570000    
 H    1.203200     -0.7516000      -1.016500    
 H    1.333100     -0.2024000      0.6632000    
 H   -11.36710      -1.448600       1.311500    
 H   -12.35790     -0.3972000      0.2838000    
 H   -11.40410      -1.702300     -0.4442000    
 H    2.189200       1.331400      -1.705300    
 H    3.634600     -0.4444000      -1.312600    
 H    7.021700       1.718700      0.7276000    
 H    4.857400      -1.864300     -0.3938000    
 H    9.088100      0.3407000      0.6975000    
 H    7.018500      -3.048600     -0.3886000    


%chk=000027387-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027387

0 1
O 4.446730 1.789451 1.042631
N 2.349628 1.000989 -0.730947
N 3.636606 0.432324 -0.699560
N 8.386986 -1.350314 0.184954
C -3.880453 -0.295345 -0.057149
C -5.238841 0.426351 -0.204786
C -2.670399 0.609007 -0.381456
C -6.450280 -0.472219 0.130942
C -7.808517 0.248628 -0.023787
C -1.313083 -0.118680 -0.255058
C -9.021123 -0.646274 0.317716
C -0.107805 0.800937 -0.552662
C -10.378573 0.077255 0.164267
C 1.239207 0.058351 -0.468408
C -11.585189 -0.822872 0.507443
C 4.596206 0.834157 0.232865
C 5.886278 0.037286 0.177620
C 7.070720 0.666369 0.633652
C 5.976557 -1.311125 -0.254430
C 8.283822 -0.054369 0.613508
C 7.235396 -1.954829 -0.231631
H -3.781652 -0.681770 0.978836
H -3.864229 -1.184136 -0.722718
H -5.341125 0.805976 -1.243157
H -5.252389 1.319746 0.454345
H -2.777596 1.008719 -1.411736
H -2.678736 1.488672 0.295352
H -6.351145 -0.847033 1.171271
H -6.434991 -1.368737 -0.524144
H -1.299387 -0.988008 -0.945789
H -1.213619 -0.532107 0.769807
H -7.909496 0.620230 -1.065230
H -7.822109 1.147351 0.628265
H -9.010626 -1.545009 -0.334501
H -8.921646 -1.018383 1.359075
H -0.088136 1.645565 0.162279
H -0.227496 1.240359 -1.566488
H -10.476960 0.449581 -0.876061
H -10.387900 0.974535 0.816610
H 1.232013 -0.804841 -1.181937
H 1.378967 -0.355201 0.547262
H -11.523758 -1.186660 1.550655
H -12.541937 -0.280253 0.394731
H -11.619583 -1.709363 -0.154022
H 2.211024 1.604041 -1.552741
H 3.881777 -0.305758 -1.373990
H 7.021959 1.694548 1.004096
H 5.093894 -1.880152 -0.567665
H 9.216823 0.408859 0.952682
H 7.334588 -2.998248 -0.551914


