%chk=000168473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168473

0 1
 O  -0.1716000       2.438200      -1.687600    
 N  -0.1643000      0.5027000     -0.3300000    
 N   -3.822300      5.6200001E-02  0.2432000    
 C   0.7727000     -0.1411000      0.6033000    
 C   -1.507900       0.000000     -0.5446000    
 C    1.944700      0.7986000      0.5480000    
 C    1.686200       1.848800     -0.3351000    
 C   -2.474500      0.5503000      0.4938000    
 C   0.3428000       1.669600     -0.8957000    
 C    1.126200      -1.525300      0.1785000    
 C    3.146400      0.7462000       1.233000    
 C    2.594200       2.861500     -0.5775000    
 C   -4.284700      0.4677000      -1.083800    
 C   -4.747300      0.5339000       1.272900    
 C    1.445300      -2.489700       1.135200    
 C    1.138800      -1.858300      -1.176600    
 C    4.083500       1.758900       1.003700    
 C    3.810000       2.806200      0.1053000    
 C   -5.658300     -9.1899998E-02  -1.391000    
 C   -4.294900      0.1230000       2.658900    
 C    1.776400      -3.785000      0.7375000    
 C    1.469900      -3.153600      -1.574300    
 C    1.788700      -4.117000     -0.6171000    
 H   0.3125000     -0.1164000       1.598100    
 H   -1.759400      0.3305000      -1.554800    
 H   -1.502600      -1.094600     -0.5381000    
 H   -2.101300      0.2162000       1.467200    
 H   -2.443200       1.648200      0.4980000    
 H    3.364900     -5.4099999E-02   1.931500    
 H    2.379500       3.671100      -1.265400    
 H   -4.291000       1.559100      -1.196800    
 H   -3.650700      5.6400001E-02  -1.872900    
 H   -4.872800       1.623400       1.235100    
 H   -5.735900      8.2900003E-02   1.138500    
 H    1.439800      -2.243700       2.193800    
 H   0.9159000      -1.131200      -1.952200    
 H    5.035600       1.738800       1.527400    
 H    4.554100       3.582000     -5.4600000E-02
 H   -5.719800      -1.163500      -1.171800    
 H   -6.453700      0.4276000     -0.8479000    
 H   -5.878100      3.4699999E-02  -2.457400    
 H   -4.022000     -0.9371000       2.702200    
 H   -3.454900      0.7234000       3.021900    
 H   -5.113500      0.2756000       3.371700    
 H    2.025100      -4.535000       1.482600    
 H    1.484100      -3.411300      -2.629200    
 H    2.047700      -5.125200     -0.9269000    


%chk=000168473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168473

0 1
O -0.254462 2.384687 -2.056836
N -0.123353 0.645939 -0.445567
N -3.851260 0.260786 0.200836
C 0.824633 0.115137 0.568256
C -1.492649 0.150137 -0.608507
C 2.054109 0.997905 0.335816
C 1.772502 1.946341 -0.672891
C -2.458921 0.676521 0.485728
C 0.377546 1.739248 -1.169653
C 1.085465 -1.387267 0.435264
C 3.311362 0.969181 0.963463
C 2.726213 2.898721 -1.078432
C -4.540516 1.183207 -0.744786
C -4.648807 -0.037577 1.418770
C 0.954338 -2.235440 1.560133
C 1.473023 -1.944037 -0.809789
C 4.280139 1.922704 0.561302
C 3.991608 2.879506 -0.447096
C -5.644570 0.489359 -1.565090
C -4.271967 -1.385002 2.064410
C 1.214280 -3.621412 1.449834
C 1.728328 -3.326545 -0.923584
C 1.602071 -4.169982 0.207047
H 0.427170 0.301746 1.590007
H -1.837457 0.490946 -1.600718
H -1.500079 -0.954361 -0.601363
H -2.155439 0.262290 1.465292
H -2.353522 1.785939 0.554663
H 3.545118 0.226168 1.733924
H 2.479875 3.623711 -1.861103
H -4.966108 2.067619 -0.206555
H -3.781215 1.584235 -1.441348
H -4.565406 0.783331 2.176130
H -5.712211 -0.078162 1.120549
H 0.646337 -1.812546 2.525248
H 1.567630 -1.290965 -1.685493
H 5.268880 1.920970 1.033811
H 4.759442 3.604970 -0.737578
H -5.217709 -0.349101 -2.142274
H -6.447177 0.084950 -0.921457
H -6.108898 1.205281 -2.268882
H -4.424998 -2.206204 1.342884
H -3.213166 -1.407974 2.382504
H -4.894458 -1.574875 2.959030
H 1.108809 -4.269559 2.326934
H 2.025356 -3.749027 -1.889979
H 1.800413 -5.243799 0.117148


