%chk=000005537.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005537

0 1
 O  -0.5391000      -4.768500      0.2237000    
 O    5.300400       1.577900     -0.3024000    
 O    3.020900       2.841500      0.6549000    
 N   0.5101000      -2.702300      7.9499997E-02
 N   -1.869100      -2.865700      0.1527000    
 N   -3.179700     -0.9092000      6.4199999E-02
 C    1.838800      -3.328800      8.9299999E-02
 C    2.821000      -2.611400     -0.8263000    
 C   0.4266000      -1.311400      5.5700000E-02
 C    2.869800      -1.157100     -0.4492000    
 C    1.692300     -0.5210000     -6.2000002E-03
 C  -0.6216000      -3.537000      0.1569000    
 C  -0.7660000     -0.6997000      3.9999999E-02
 C    4.070700     -0.4423000     -0.5611000    
 C   -2.018700      -1.482300      8.4899999E-02
 C    1.776600      0.8287000      0.3769000    
 C    4.124300      0.8997000     -0.1968000    
 C    2.980900       1.531700      0.2797000    
 C   -3.054500      -3.720200      0.2208000    
 C   -3.161400      0.4920000     -2.6000000E-03
 C   -3.159100       1.131200      -1.242200    
 C   -3.146100       1.245100       1.171200    
 C   -3.125800       3.277900     -0.1346000    
 C   -3.141100       2.524400      -1.308100    
 C   -3.128200       2.638300       1.105100    
 C   -3.173700      0.3471000      -2.513800    
 C   -3.146300      0.5842000       2.511000    
 C    6.164800       1.558000      0.8323000    
 C    2.739000       3.811900     -0.3510000    
 C   -3.105800       4.767500     -0.2046000    
 H    1.766300      -4.379100     -0.2132000    
 H    2.189000      -3.317700       1.129900    
 H    2.507900      -2.695800      -1.873900    
 H    3.809300      -3.074300     -0.7276000    
 H  -0.8010000      0.3773000     -2.9100001E-02
 H    4.967300     -0.9385000     -0.9251000    
 H   0.9120000       1.358300      0.7700000    
 H   -2.988300      -4.343400       1.118600    
 H   -3.060000      -4.378400     -0.6541000    
 H   -3.986900      -3.152600      0.2484000    
 H   -3.134900       3.026900      -2.272600    
 H   -3.111800       3.229600       2.017600    
 H   -2.199900     -0.1221000      -2.685700    
 H   -3.394000      0.9835000      -3.377900    
 H   -3.948100     -0.4269000      -2.487100    
 H   -3.920300     -0.1887000       2.565900    
 H   -2.170300      0.1333000       2.715800    
 H   -3.357800       1.299300       3.313700    
 H    6.475300      0.5332000       1.059700    
 H    5.670300       2.002800       1.701500    
 H    7.054000       2.148600      0.5957000    
 H    2.819600       4.805200      9.8899998E-02
 H    3.461100       3.739500      -1.170500    
 H    1.721600       3.682700     -0.7338000    
 H   -2.072700       5.128500     -0.2229000    
 H   -3.619600       5.128300      -1.102200    
 H   -3.617500       5.210600      0.6566000    


%chk=000005537-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005537

0 1
O -0.576692 -4.784980 0.119590
O 5.714600 1.223307 -0.283430
O 3.332791 2.740041 0.533597
N 0.595936 -2.755263 0.057632
N -1.804622 -2.800982 0.077317
N -3.082180 -0.818886 0.053825
C 1.876306 -3.504566 0.142832
C 2.918762 -2.863163 -0.785794
C 0.593931 -1.347473 0.022523
C 3.070115 -1.390741 -0.446684
C 1.911743 -0.667416 -0.032185
C -0.601773 -3.519004 0.085545
C -0.612867 -0.676850 0.008798
C 4.315238 -0.733538 -0.512513
C -1.888727 -1.372487 0.048987
C 2.037022 0.710474 0.284083
C 4.440769 0.632016 -0.181249
C 3.275598 1.367885 0.194148
C -3.044376 -3.608479 0.104439
C -3.252542 0.596591 0.024135
C -3.396904 1.269252 -1.227458
C -3.380718 1.322239 1.247707
C -3.781807 3.404634 -0.032385
C -3.660621 2.659116 -1.230736
C -3.644321 2.710941 1.195083
C -3.283281 0.490391 -2.524518
C -3.248518 0.599248 2.574882
C 6.239444 1.836573 0.962164
C 3.675908 3.633638 -0.599111
C -4.038385 4.902479 -0.062176
H 1.652077 -4.546855 -0.131048
H 2.236777 -3.492264 1.190385
H 2.595576 -2.987708 -1.838802
H 3.882199 -3.392065 -0.677111
H -0.649927 0.410160 -0.065927
H 5.220146 -1.275656 -0.806760
H 1.178509 1.302574 0.614372
H -3.050978 -4.257202 0.995824
H -3.096674 -4.251941 -0.789773
H -3.885511 -2.901342 0.125594
H -3.778307 3.169553 -2.195922
H -3.747867 3.262359 2.139058
H -2.251754 0.124038 -2.694511
H -3.565970 1.114232 -3.389839
H -3.933322 -0.404126 -2.504645
H -3.904703 -0.290481 2.605482
H -2.216579 0.232793 2.741559
H -3.511025 1.261737 3.417498
H 6.423863 1.048890 1.716461
H 5.535020 2.584785 1.365371
H 7.189780 2.309499 0.673168
H 3.711756 4.646904 -0.171696
H 4.654246 3.362483 -1.036033
H 2.889903 3.579544 -1.375498
H -3.089721 5.475199 -0.071205
H -4.606753 5.197708 -0.962286
H -4.609991 5.232485 0.823737


