%chk=000046364.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046364

0 1
 O    3.198900      -2.155200      -1.125100    
 O   -1.941900      -3.782300      0.4585000    
 N    2.101800     -0.8285000      0.4644000    
 N   -1.167400      -1.661700     -0.1562000    
 C    1.536000      -3.222600      0.3038000    
 C   0.2870000      -3.593800     -0.5227000    
 C    2.071500      -4.634300     -1.4500000E-02
 C   0.6018000      -5.068000     -0.1938000    
 C    2.379900      -2.021800     -0.2120000    
 C   -1.075300      -3.041200     -1.3100000E-02
 C    2.667700      0.4365000      0.2651000    
 C   -2.250900     -0.8213000      0.1960000    
 C    1.949200       1.616600      0.5173000    
 C   -2.510900      0.3576000     -0.5055000    
 C    3.982800      0.4887000     -0.1982000    
 C   -3.037000      -1.223800       1.266900    
 C    2.573600       2.867300      0.2967000    
 C   -3.608000       1.158200     -0.1073000    
 C   0.6249000       1.583000      0.9836000    
 C   -1.718300      0.7690000      -1.589400    
 C    4.596800       1.718700     -0.4147000    
 C   -4.116100     -0.4367000       1.658200    
 C    3.898100       2.901200     -0.1694000    
 C   -4.400900      0.7468000      0.9765000    
 C    1.855500       4.047600      0.5490000    
 C   -3.880200       2.346400     -0.8047000    
 C  -7.3700003E-02   2.765500       1.228700    
 C   -2.003100       1.952700      -2.270800    
 C   0.5404000       3.995400       1.011800    
 C   -3.082000       2.739900      -1.879200    
 H    1.311500      -3.125100       1.377600    
 H   0.4135000      -3.389600      -1.597100    
 H    2.610000      -5.131200      0.7970000    
 H    2.664000      -4.714100     -0.9331000    
 H   0.4194000      -5.783800     -0.9997000    
 H   0.1436000      -5.445800      0.7276000    
 H    1.295900     -0.8685000       1.080300    
 H  -0.4242000      -1.232100     -0.6978000    
 H    4.580600     -0.4018000     -0.3631000    
 H   -2.827600      -2.111000       1.854500    
 H   9.9900000E-02  0.6571000       1.186100    
 H  -0.8701000      0.1938000      -1.948300    
 H    5.623800       1.759500     -0.7658000    
 H   -4.731200     -0.7375000       2.501400    
 H    4.398700       3.851400     -0.3437000    
 H   -5.247800       1.347800       1.301300    
 H    2.315500       5.020100      0.3866000    
 H   -4.718200       2.977400     -0.5159000    
 H   -1.095900       2.726800       1.594000    
 H   -1.383200       2.259300      -3.108400    
 H  -4.0000002E-03   4.915500       1.203600    
 H   -3.303000       3.661300      -2.410000    


%chk=000046364-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046364

0 1
O 3.695668 -2.382129 -0.729352
O -1.320652 -3.361368 1.376039
N 2.282811 -0.902303 0.441176
N -1.371191 -1.684052 -0.279020
C 1.737089 -3.280862 0.446718
C 0.374931 -3.410646 -0.375673
C 2.082718 -4.744855 0.041060
C 0.577786 -4.964163 -0.336357
C 2.684257 -2.169369 0.003472
C -0.857214 -2.842013 0.314723
C 2.872028 0.367583 0.177218
C -2.475928 -0.880535 0.127872
C 2.126931 1.553647 0.560516
C -2.736809 0.340245 -0.614551
C 4.136286 0.484874 -0.423210
C -3.300853 -1.248582 1.204003
C 2.744435 2.849282 0.350798
C -3.886260 1.140048 -0.237044
C 0.805784 1.516926 1.122877
C -1.918786 0.805171 -1.698957
C 4.712764 1.771616 -0.635135
C -4.414602 -0.435014 1.565033
C 4.043728 2.932584 -0.249079
C -4.712934 0.730410 0.860112
C 2.034535 4.033841 0.738434
C -4.176279 2.339808 -0.967912
C 0.136449 2.689484 1.483647
C -2.225326 1.979679 -2.390777
C 0.758406 3.962289 1.298506
C -3.369404 2.754428 -2.027878
H 1.499062 -3.204052 1.524561
H 0.509615 -3.009807 -1.397938
H 2.503581 -5.387366 0.829268
H 2.756286 -4.750462 -0.831829
H 0.358344 -5.507749 -1.268434
H -0.004175 -5.396131 0.494982
H 1.455552 -0.893866 1.041480
H -0.905748 -1.398538 -1.142244
H 4.667910 -0.419439 -0.722591
H -3.081095 -2.165382 1.752857
H 0.270366 0.569319 1.260237
H -1.012233 0.266799 -2.001982
H 5.702203 1.833259 -1.100755
H -5.042474 -0.748167 2.405926
H 4.496118 3.919093 -0.401384
H -5.577401 1.346245 1.132867
H 2.517201 5.005630 0.579836
H -5.051951 2.930388 -0.673414
H -0.876054 2.631415 1.896844
H -1.578331 2.314707 -3.208223
H 0.226257 4.874896 1.587183
H -3.602000 3.672582 -2.577502


