%chk=000126371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126371

1 1
 O    1.659500       4.197900      0.3460000    
 N   -4.782400     -0.1418000     -0.1344000    
 N   -1.508900      -1.730300      0.6518000    
 N    4.219000     -0.5860000     -0.3827000    
 C   -4.597700       1.139500      0.5613000    
 C   -5.522700      3.7799999E-02  -1.391200    
 C   -5.943200       1.793900      0.8784000    
 C   -6.898500      0.6562000      -1.137800    
 C   -6.783000       1.974400     -0.3812000    
 C   -3.489400     -0.7768000     -0.3884000    
 C   -2.784100      -1.073200      0.9277000    
 C    2.027300     -0.7998000      2.4700001E-02
 C   0.8264000      -1.562600      0.2153000    
 C    3.207600      -1.502900     -0.2357000    
 C    2.378800      0.6026000      2.8500000E-02
 C  -0.4179000     -0.9713000      0.4821000    
 C   0.8816000      -2.978400      0.1335000    
 C    3.748800      0.6924000     -0.2288000    
 C   -1.480200      -3.064400      0.5790000    
 C    3.272000      -2.896400     -0.3179000    
 C  -0.2888000      -3.722700      0.3189000    
 C    2.095100      -3.619400     -0.1299000    
 C    1.673900       1.812800      0.2243000    
 C    4.440300       1.908300     -0.2998000    
 C    5.600700     -0.9240000     -0.6633000    
 C    2.350100       3.038000      0.1569000    
 C    3.714900       3.083000     -0.1018000    
 C    2.400700       5.413200      0.2645000    
 H   -3.982900       1.826500     -3.4899998E-02
 H   -4.110000       1.015700       1.531300    
 H   -5.671100     -0.9339000      -1.877800    
 H   -4.958600      0.6697000      -2.089900    
 H   -5.779300       2.767600       1.354200    
 H   -6.493700       1.174700       1.598300    
 H   -7.515200     -4.4000000E-02 -0.5601000    
 H   -7.411600      0.8215000      -2.091900    
 H   -7.779300       2.346800     -0.1192000    
 H   -6.316200       2.727800      -1.027500    
 H   -2.856200     -0.1489000      -1.028900    
 H   -3.642100      -1.721400     -0.9257000    
 H   -3.382200      -1.732500       1.569000    
 H   -2.539700     -0.1859000       1.519300    
 H  -0.5716000      9.4200000E-02  0.5574000    
 H   -2.412500      -3.596900      0.7250000    
 H    4.202100      -3.419200     -0.5154000    
 H  -0.2821000      -4.807900      0.2618000    
 H    2.142400      -4.705400     -0.1921000    
 H   0.6086000       1.818700      0.4280000    
 H    5.506400       1.954100     -0.4950000    
 H    6.082000     -0.1095000      -1.208700    
 H    6.106000      -1.099000      0.2896000    
 H    5.640800      -1.817700      -1.290200    
 H    4.287200       4.002800     -0.1633000    
 H    2.821400       5.563000     -0.7357000    
 H    3.161700       5.475300       1.050000    
 H    1.696200       6.233000      0.4390000    


%chk=000126371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126371

1 1
O 1.597682 4.102890 0.529499
N -4.663410 0.138446 -0.248106
N -1.502296 -1.760976 0.650399
N 4.358445 -0.661552 -0.396005
C -4.521749 1.581858 0.079307
C -5.755545 -0.132723 -1.222913
C -5.841761 2.158316 0.630153
C -7.102808 0.403085 -0.697948
C -7.002989 1.907646 -0.358369
C -3.403163 -0.552204 -0.502459
C -2.810770 -1.067692 0.848839
C 2.094743 -0.857729 0.023734
C 0.886666 -1.606723 0.192014
C 3.311740 -1.570295 -0.269515
C 2.434585 0.554395 0.076555
C -0.366941 -1.014796 0.489859
C 0.933555 -3.061548 0.057972
C 3.849847 0.636214 -0.188079
C -1.475309 -3.144653 0.514269
C 3.352543 -2.986087 -0.395810
C -0.281572 -3.792859 0.229548
C 2.172530 -3.716280 -0.232658
C 1.713037 1.747051 0.313474
C 4.534947 1.866506 -0.216307
C 5.766466 -0.953151 -0.688299
C 2.396883 2.983222 0.284939
C 3.800971 3.043526 0.021975
C 2.232843 5.429021 0.525754
H -4.215880 2.158865 -0.830146
H -3.716850 1.704892 0.829574
H -5.817168 -1.224984 -1.383600
H -5.532037 0.341774 -2.211191
H -5.715190 3.241165 0.816966
H -6.068101 1.675533 1.600110
H -7.385237 -0.164554 0.209445
H -7.884521 0.225425 -1.459852
H -7.955510 2.268058 0.070496
H -6.829645 2.487447 -1.288147
H -2.639177 0.093174 -1.002656
H -3.579289 -1.418482 -1.166695
H -3.519481 -1.769188 1.315132
H -2.657615 -0.221824 1.539785
H -0.482689 0.060478 0.623564
H -2.423954 -3.664523 0.653222
H 4.288432 -3.508230 -0.616015
H -0.282532 -4.882617 0.140424
H 2.187472 -4.806739 -0.326355
H 0.641111 1.776314 0.522329
H 5.609049 1.921122 -0.416039
H 6.087486 -0.424759 -1.603317
H 6.411529 -0.641057 0.152227
H 5.904868 -2.032165 -0.848727
H 4.320281 4.005388 0.003396
H 2.669804 5.660016 -0.463990
H 3.008359 5.502636 1.311182
H 1.417716 6.133129 0.743661


