%chk=000154642.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154642

0 1
 O    2.560000     -5.0400000E-02 -0.3794000    
 O   -7.280600      -2.783900      0.1877000    
 O   -5.688600      -4.144800      0.8454000    
 O    7.170100      -2.801300       1.019900    
 O    4.978000      -2.821900      0.9053000    
 N   -2.073600      0.5375000     -0.8856000    
 N   -1.415100      -1.409500     -3.9999999E-02
 N   -6.068000      -3.048300      0.3691000    
 N    1.323800     -0.6826000     -0.1872000    
 N    6.080900      -2.252000      0.7310000    
 C   -3.225400     -0.1710000     -0.6581000    
 C   -1.989400       1.871900      -1.434500    
 C   -2.787800      -1.382600     -0.1305000    
 C   -1.020000     -0.2438000     -0.5005000    
 C   -2.032000       2.915200     -0.3508000    
 C   -4.571400      0.1346000     -0.8624000    
 C   -3.735500      -2.359100      0.2200000    
 C   -5.092600      -2.074200      2.3600001E-02
 C   -5.500900     -0.8488000     -0.5082000    
 C   0.3604000      0.1130000     -0.5712000    
 C   -3.255700       3.429800      5.5900000E-02
 C  -0.8472000       3.349100      0.2282000    
 C   -3.295300       4.396800       1.060400    
 C  -0.8868000       4.315900       1.233000    
 C   -2.110800       4.839900       1.648900    
 C    4.916000     -0.2831000     -0.1501000    
 C    3.581200     -0.9397000      4.6700001E-02
 C    6.097000     -0.9377000      0.1875000    
 C    4.950000       1.003100     -0.6813000    
 C    7.322500     -0.3006000     -7.3000002E-03
 C    6.175400       1.640200     -0.8762000    
 C    7.361600      0.9884000     -0.5391000    
 H   -2.818900       2.009300      -2.138900    
 H   -1.081400       1.958400      -2.040700    
 H   -4.897200       1.075700      -1.288100    
 H   -3.389900      -3.302500      0.6308000    
 H   -6.552500     -0.6189000     -0.6682000    
 H   0.6340000       1.089800     -0.9981000    
 H   -4.186100       3.107800     -0.3997000    
 H   0.1180000       2.974700     -9.1600001E-02
 H   -4.248000       4.807300       1.382100    
 H   3.5700001E-02   4.664800       1.687800    
 H   -2.141400       5.594200       2.429700    
 H    3.498500      -1.838900     -0.5744000    
 H    3.403600      -1.141000       1.109300    
 H    4.058000       1.555500     -0.9604000    
 H    8.268600     -0.7741000      0.2422000    
 H    6.206800       2.643900      -1.290200    
 H    8.315500       1.485000     -0.6910000    


%chk=000154642-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154642

0 1
O 2.397516 -0.039169 -0.234024
O -7.648933 -2.878170 -0.030037
O -6.059829 -4.298158 0.782185
O 7.396765 -2.819174 0.518574
O 5.133079 -3.041351 0.457850
N -2.281551 0.431127 -0.904596
N -1.674133 -1.572915 0.061418
N -6.421302 -3.181549 0.243263
N 1.139265 -0.755537 -0.161174
N 6.209779 -2.322319 0.424174
C -3.465256 -0.283802 -0.716294
C -2.163537 1.763346 -1.525137
C -3.065384 -1.533484 -0.116050
C -1.225636 -0.391078 -0.414019
C -1.791321 2.883164 -0.552237
C -4.816756 0.018040 -0.999279
C -4.030771 -2.507414 0.210337
C -5.371036 -2.188524 -0.081199
C -5.774512 -0.955114 -0.673794
C 0.153341 0.071426 -0.451245
C -2.272065 2.887387 0.780238
C -0.988148 3.959278 -1.002989
C -1.955590 3.956591 1.647259
C -0.675829 5.031752 -0.137182
C -1.158948 5.032576 1.191326
C 4.788704 -0.243332 0.098552
C 3.482078 -1.016153 0.044106
C 6.066841 -0.852775 0.271772
C 4.774979 1.170088 -0.030040
C 7.265436 -0.101418 0.313713
C 5.962302 1.930716 0.014232
C 7.214822 1.296967 0.185077
H -3.139980 1.984120 -1.994431
H -1.428093 1.716107 -2.349713
H -5.125218 0.967073 -1.448615
H -3.762308 -3.463157 0.665161
H -6.838285 -0.792504 -0.862809
H 0.348315 1.123726 -0.703797
H -2.886095 2.055336 1.143523
H -0.607090 3.962571 -2.032452
H -2.328506 3.949556 2.677243
H -0.054404 5.859407 -0.496221
H -0.914410 5.860440 1.865564
H 3.485196 -1.783413 -0.749542
H 3.263632 -1.532873 0.994703
H 3.811538 1.665525 -0.164723
H 8.209228 -0.635950 0.447922
H 5.907888 3.020134 -0.085087
H 8.137724 1.883978 0.219295


