%chk=000031059.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031059

0 1
 O    6.189800      0.1571000     -0.5513000    
 N   -2.141200     -0.3741000      0.6014000    
 N   0.6994000     -0.3361000      0.3038000    
 N   -5.233600      0.9886000     -0.4477000    
 C   -1.449300      -1.481400     -6.9399998E-02
 C   -1.290800      0.1751000       1.664700    
 C  -0.1348000      -1.009900     -0.6960000    
 C   2.8200001E-02  0.7026000       1.095300    
 C   -3.420100     -0.8248000       1.149100    
 C   -4.357100      -1.279500      3.0600000E-02
 C    2.076600     -0.2119000      8.8699996E-02
 C   -4.648700     -0.2131000      -1.029800    
 C    2.784500      -1.175700     -0.6566000    
 C    2.797100      0.8804000      0.6117000    
 C    4.157400      -1.052300     -0.8703000    
 C    4.170000       1.003800      0.3981000    
 C   -6.527200      0.6865000      0.1678000    
 C   -5.386400       2.031900      -1.463400    
 C    4.850100      3.7400000E-02 -0.3428000    
 C    6.836100       1.295500      1.6100001E-02
 H   -2.034000      -1.894200     -0.8959000    
 H   -1.248800      -2.299900      0.6352000    
 H   -1.084300     -0.5884000       2.427200    
 H   -1.803600       1.005600       2.165100    
 H   0.3331000      -1.900200      -1.122500    
 H  -0.3360000     -0.3181000      -1.524200    
 H  -0.1477000       1.592500      0.4779000    
 H   0.6141000      0.9930000       1.974300    
 H   -3.277900      -1.650200       1.859100    
 H   -3.896000     -1.0500000E-02   1.708700    
 H   -5.291600      -1.626900      0.4882000    
 H   -3.981000      -2.180300     -0.4671000    
 H   -5.313800     -0.6434000      -1.790700    
 H   -3.715000      3.8300000E-02  -1.547700    
 H    2.308600      -2.060800      -1.065000    
 H    2.329600       1.683400       1.172300    
 H    4.683900      -1.811500      -1.442400    
 H    4.646000       1.877500      0.8302000    
 H   -6.421200      7.5499997E-02   1.069000    
 H   -7.213000      0.1855000     -0.5253000    
 H   -7.011700       1.610600      0.5057000    
 H   -4.415000       2.289000      -1.900400    
 H   -5.779600       2.951400      -1.015600    
 H   -6.059500       1.725800      -2.272600    
 H    6.776800       1.288600       1.109800    
 H    6.457800       2.228900     -0.4142000    
 H    7.897000       1.229300     -0.2467000    


%chk=000031059-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031059

0 1
O 6.398518 0.092765 -0.351945
N -2.131086 -0.584001 0.452226
N 0.765047 -0.419935 0.330286
N -5.519435 0.985759 -0.248892
C -1.320424 -1.733760 -0.013896
C -1.360422 0.187503 1.455724
C -0.002068 -1.243968 -0.634154
C -0.032278 0.698364 0.867831
C -3.473587 -0.979758 0.953385
C -4.464573 -1.308664 -0.182792
C 2.162139 -0.236899 0.128391
C -4.810758 -0.062639 -1.026493
C 2.993886 -1.340273 -0.241361
C 2.800963 1.018164 0.332550
C 4.380065 -1.191913 -0.396900
C 4.201187 1.169366 0.193936
C -6.918948 0.632753 0.062144
C -5.424762 2.314151 -0.888130
C 4.998837 0.064234 -0.176864
C 7.067428 1.371956 -0.128421
H -1.886443 -2.294967 -0.779088
H -1.089914 -2.434959 0.829869
H -1.131553 -0.431698 2.361251
H -1.967609 1.053601 1.777472
H 0.597189 -2.114282 -0.944375
H -0.237968 -0.649439 -1.547857
H -0.251059 1.459306 0.080608
H 0.536240 1.191487 1.676131
H -3.402859 -1.846406 1.659334
H -3.890436 -0.122220 1.513383
H -5.379407 -1.748304 0.260619
H -4.048031 -2.084158 -0.855649
H -5.402817 -0.371224 -1.927476
H -3.857885 0.369919 -1.383671
H 2.557504 -2.334717 -0.379320
H 2.211618 1.903710 0.587319
H 5.008314 -2.044852 -0.672767
H 4.644456 2.155531 0.365250
H -6.962124 -0.312635 0.629804
H -7.554709 0.513536 -0.853557
H -7.369807 1.422122 0.690445
H -4.363068 2.582179 -1.031184
H -5.887169 3.076490 -0.234512
H -5.932429 2.365644 -1.885745
H 6.925214 1.728326 0.911692
H 6.706902 2.147864 -0.833350
H 8.135320 1.177540 -0.308853


