%chk=000154351.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154351

1 1
 O    3.494700     -0.6865000     -0.1814000    
 O   -4.191500      -1.644300      -1.042400    
 N   -1.876800      0.8550000      0.5067000    
 N    2.218500     -0.2115000      0.3124000    
 C  -0.5856000      0.3578000     -4.3200001E-02
 C    1.853300       1.016600     -0.4191000    
 C    1.275200      -1.344700      0.3591000    
 C   0.4443000       1.482300      2.6799999E-02
 C  -0.1228000     -0.8343000      0.7902000    
 C   -2.944700     -0.2439000      0.4563000    
 C   -2.382800       2.054600     -0.3030000    
 C   -1.708600       1.296100       1.965500    
 C    2.858200       2.117200      1.9999999E-04
 C    1.911800      0.9112000      -1.957700    
 C    1.159400      -2.162000     -0.9449000    
 C    1.773600      -2.312600       1.459800    
 C   -3.176300     -0.6509000     -0.9854000    
 H  -0.7253000      8.6700000E-02  -1.091700    
 H   0.5682000       1.859000       1.045100    
 H   0.1526000       2.337400     -0.5936000    
 H  -0.8126000      -1.680800      0.7173000    
 H  -3.5999998E-02 -0.5819000       1.850400    
 H   -2.675900      -1.078200       1.110100    
 H   -3.868700      0.1747000      0.8772000    
 H   -3.445900       2.201400     -8.7300003E-02
 H   -1.839400       2.951300      1.0300000E-02
 H   -2.219700       1.875900      -1.369400    
 H   -1.013900       2.129200       2.064400    
 H   -2.688700       1.667900       2.290400    
 H   -1.465100      0.4536000       2.612800    
 H    2.578000       3.088500     -0.4245000    
 H    2.894400       2.235100       1.090000    
 H    3.875000       1.892100     -0.3422000    
 H    1.176700      0.2284000      -2.379900    
 H    1.699000       1.890000      -2.407100    
 H    2.902200      0.6231000      -2.324400    
 H   0.5058000      -3.029600     -0.7852000    
 H   0.7148000      -1.608900      -1.770500    
 H    2.119900      -2.569000      -1.276900    
 H    1.906900      -1.797100       2.418600    
 H    1.056800      -3.126100       1.623200    
 H    2.733200      -2.771500       1.194400    
 H   -3.526300      0.1713000      -1.612800    
 H   -2.300100      -1.099000      -1.457700    
 H    3.305100     -0.9382000      -1.098300    
 H   -3.892300      -2.400300     -0.5089000    


%chk=000154351-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154351

1 1
O 3.604457 -0.691699 -0.095606
O -4.283312 -1.777759 -0.658410
N -1.947816 0.923608 0.541274
N 2.268370 -0.228048 0.300930
C -0.512245 0.415448 0.096228
C 1.919440 1.054437 -0.415571
C 1.299584 -1.385534 0.346508
C 0.553547 1.523513 0.181816
C -0.043797 -0.810375 0.901633
C -2.994324 -0.206550 0.455795
C -2.387180 2.079499 -0.360514
C -1.950273 1.420100 1.987438
C 2.992929 2.097018 -0.013761
C 1.863700 0.977483 -1.972745
C 1.073338 -2.145179 -0.998242
C 1.851824 -2.389405 1.389400
C -3.150617 -0.890002 -0.913124
H -0.670988 0.137663 -0.961718
H 0.740657 1.789248 1.238210
H 0.259056 2.435318 -0.366007
H -0.776596 -1.635925 0.882143
H 0.133486 -0.524144 1.954725
H -2.743699 -0.962959 1.214290
H -3.965848 0.238668 0.731114
H -3.462537 2.258112 -0.206257
H -1.825761 2.986075 -0.097124
H -2.197939 1.821325 -1.412457
H -1.232869 2.244764 2.096313
H -2.963036 1.777188 2.231124
H -1.679528 0.594102 2.659645
H 2.714648 3.103620 -0.376070
H 3.106430 2.122033 1.083157
H 3.971981 1.829417 -0.441979
H 1.032172 0.369318 -2.367801
H 1.766939 1.995601 -2.390593
H 2.806119 0.566988 -2.379978
H 0.516541 -3.079765 -0.805073
H 0.516547 -1.568059 -1.756815
H 2.037219 -2.449151 -1.446621
H 2.095942 -1.864963 2.328472
H 1.111633 -3.184025 1.595421
H 2.777720 -2.859285 1.021496
H -3.381123 -0.158676 -1.715250
H -2.243686 -1.463127 -1.194494
H 3.571441 -0.977401 -1.060402
H -4.493948 -2.323417 -1.456822


