%chk=000131196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131196

0 1
 O    3.239700       1.833600      3.9700001E-02
 O   -4.088700       1.633700      4.6799999E-02
 O    9.627900      -2.374700      0.9464000    
 N    8.549200      -1.540600      -1.262300    
 N   -8.898300      -2.562400     -0.8852000    
 N    8.458400      -1.627400       1.117100    
 N   -9.475500      -1.592100       1.160800    
 C  -0.4213000       1.204400     -0.6492000    
 C   0.8288000       1.771000      3.0500000E-02
 C   -1.696000       1.719500      1.6700000E-02
 C    2.113200       1.296500     -0.6383000    
 C   -2.943200       1.128300     -0.6249000    
 C    4.388200       1.085000      2.1700000E-02
 C   -5.197000      0.8273000      7.2099999E-02
 C    4.660200      0.2512000      -1.063000    
 C    5.285800       1.159000       1.086900    
 C   -5.436200     -6.2500000E-02 -0.9753000    
 C   -6.086800      0.8982000       1.143900    
 C    6.727200     -0.4349000     -1.7300000E-02
 C   -7.454700     -0.8106000      0.1213000    
 C    5.829600     -0.5086000      -1.082500    
 C    6.455200      0.3990000       1.067400    
 C   -6.564900     -0.8814000     -0.9506000    
 C   -7.215600      7.9300001E-02   1.168600    
 C    7.947000      -1.226600     -3.7700001E-02
 C   -8.632000      -1.664000      0.1464000    
 H  -0.4221000       1.484200      -1.709600    
 H  -0.3961000      0.1090000     -0.6028000    
 H   0.8014000       2.867700      1.8500000E-02
 H   0.8447000       1.484100       1.089400    
 H   -1.739700       2.814200     -4.1299999E-02
 H   -1.689400       1.476000       1.086700    
 H    2.111300      0.1988000     -0.6101000    
 H    2.133700       1.629300      -1.682600    
 H   -2.876000      3.5599999E-02 -0.5438000    
 H   -2.992500       1.412300      -1.682400    
 H    4.000600      0.1834000      -1.923100    
 H    5.079800       1.808700       1.933200    
 H   -4.783700     -0.1282000      -1.841000    
 H   -5.905200       1.589900       1.962000    
 H    6.007800      -1.157000      -1.935900    
 H    7.142100      0.4815000       1.905700    
 H   -6.706800      -1.550000      -1.792600    
 H   -7.888000      0.1599000       2.018300    
 H    9.399200      -2.093800      -1.288500    
 H    8.197600      -1.194300      -2.148200    
 H   -9.726200      -3.148300     -0.8505000    
 H   -8.306000      -2.681500      -1.697500    
 H   -10.23420      -2.263300      0.9971000    
 H    9.862700      -2.582000       1.866600    


%chk=000131196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131196

0 1
O 3.272400 0.850801 0.797131
O -4.121150 0.809839 0.711526
O 10.948194 -0.390373 -0.288614
N 9.010622 -0.797560 -1.896701
N -9.761798 -1.721670 -1.367170
N 9.612415 -0.082856 0.304290
N -10.443305 0.378475 -0.374161
C -0.413177 0.192838 0.079693
C 0.858858 0.787705 0.725630
C -1.706290 0.772941 0.696416
C 2.135838 0.225136 0.097483
C -2.962335 0.176975 0.056711
C 4.567185 0.503168 0.386769
C -5.403075 0.426306 0.292946
C 4.864544 -0.410206 -0.654414
C 5.622164 1.136771 1.094434
C -5.666533 -0.533654 -0.715178
C -6.479732 1.078072 0.949484
C 7.276183 -0.040685 -0.291348
C -8.090014 -0.205867 -0.392977
C 6.213213 -0.675495 -0.981041
C 6.956235 0.868744 0.756950
C -7.005607 -0.839281 -1.048308
C -7.802450 0.764616 0.606452
C 8.693855 -0.310083 -0.640384
C -9.521988 -0.504333 -0.714165
H -0.402513 0.391959 -1.012570
H -0.407627 -0.910983 0.199115
H 0.860755 1.888745 0.615269
H 0.868831 0.572912 1.811030
H -1.727226 1.871829 0.568420
H -1.729728 0.575071 1.784832
H 2.186374 -0.877823 0.217592
H 2.185651 0.466656 -0.985438
H -3.002657 -0.922591 0.207959
H -2.990037 0.386348 -1.033659
H 4.069641 -0.923977 -1.202446
H 5.367624 1.836908 1.895802
H -4.853019 -1.033419 -1.248692
H -6.250571 1.821244 1.719188
H 6.426588 -1.418542 -1.758513
H 7.774382 1.357717 1.293799
H -7.185562 -1.550242 -1.863723
H -8.648961 1.262206 1.088758
H 9.993713 -0.981760 -2.089480
H 8.335973 -0.781387 -2.654444
H -10.706048 -1.965112 -1.658364
H -9.044644 -2.440246 -1.430791
H -11.412150 0.073577 -0.603047
H 11.552161 -0.223014 0.475549


