%chk=000054736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054736

0 1
 O  -0.9315000      -3.366700      0.5783000    
 O   -5.771500      0.5064000     -0.3679000    
 N   0.7633000       2.844500     -0.8962000    
 N   0.2430000      -1.457000     -0.1285000    
 C    2.032400       2.789300     -0.1440000    
 C    2.080000       3.765500       1.046000    
 C   0.8574000       3.651600       1.951300    
 C  -0.4197000       2.749400     -2.8100001E-02
 C    2.320400       1.348100      0.3001000    
 C  -0.4270000       3.740800       1.136700    
 C    2.314900      0.4006000     -0.8931000    
 C   0.6979000       4.018700      -1.767100    
 C    2.606600      -1.015100     -0.4658000    
 C    1.576400      -1.873600     -0.1066000    
 C    3.929200      -1.437800     -0.4407000    
 C    1.873900      -3.178900      0.2850000    
 C    4.226700      -2.743200     -4.9300000E-02
 C    3.199000      -3.613600      0.3136000    
 C  -0.8963000      -2.199700      0.2031000    
 C   -2.189300      -1.482300      5.1399998E-02
 C   -3.257400      -1.862700      0.8363000    
 C   -2.278600     -0.4591000     -0.8690000    
 C   -4.470500      -1.189100      0.6945000    
 C   -3.491800      0.2145000      -1.010900    
 C   -4.587800     -0.1505000     -0.2292000    
 H    2.854300       3.063400     -0.8207000    
 H    2.144300       4.794000      0.6688000    
 H    2.988800       3.599200       1.636900    
 H   0.8766000       4.447700       2.704100    
 H   0.8824000       2.701600       2.497600    
 H  -0.4804000       1.733200      0.3780000    
 H   -1.334400       2.872900     -0.6212000    
 H    1.595800       1.010400       1.050400    
 H    3.301200       1.314200      0.7931000    
 H   -1.286900       3.537900       1.785400    
 H  -0.5530000       4.762800      0.7598000    
 H    3.092800      0.7177000      -1.602400    
 H    1.393000      0.4449000      -1.481400    
 H  -0.2164000       3.997100      -2.370800    
 H    1.533300       4.015500      -2.476400    
 H   0.7213000       4.965000      -1.217700    
 H    4.739100     -0.7690000     -0.7184000    
 H    1.142400      -3.916300      0.5811000    
 H    5.258400      -3.081500     -2.6300000E-02
 H   0.1015000     -0.4797000     -0.3520000    
 H    3.432300      -4.629700      0.6185000    
 H   -3.181400      -2.664700       1.564400    
 H   -1.465900     -0.1691000      -1.526600    
 H   -5.316500      -1.482200       1.310500    
 H   -3.579500       1.017500      -1.737800    
 H   -6.418400      0.1238000      0.2497000    


%chk=000054736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054736

0 1
O -0.887322 -2.755435 1.007897
O -5.626180 0.887103 -1.376669
N 0.271258 2.224279 -0.355072
N 0.430269 -1.152850 -0.117064
C 1.711570 2.657732 -0.249705
C 1.903519 3.904966 0.665048
C 1.235995 3.730733 2.050737
C -0.396875 2.116018 0.982119
C 2.576623 1.442745 0.164320
C -0.258601 3.376358 1.873105
C 2.704528 0.415087 -1.003186
C -0.501551 3.053839 -1.315019
C 2.850849 -1.017397 -0.520275
C 1.721959 -1.760285 -0.040182
C 4.124255 -1.630330 -0.498693
C 1.908097 -3.077798 0.463387
C 4.311333 -2.942006 -0.009973
C 3.193888 -3.657387 0.473049
C -0.786846 -1.699796 0.302310
C -2.021832 -0.963345 -0.140026
C -3.192188 -1.112572 0.647207
C -2.098452 -0.210324 -1.342129
C -4.402178 -0.501612 0.270038
C -3.306630 0.394030 -1.739983
C -4.456528 0.254805 -0.928342
H 2.020636 2.943258 -1.276798
H 1.457891 4.790737 0.167607
H 2.985816 4.112502 0.773959
H 1.351255 4.656519 2.645632
H 1.741154 2.922664 2.617998
H 0.044164 1.256185 1.523573
H -1.458825 1.868673 0.805493
H 2.135986 0.947653 1.049242
H 3.583993 1.782476 0.471789
H -0.736028 3.182298 2.853026
H -0.794886 4.232452 1.416259
H 3.576259 0.683339 -1.628146
H 1.812314 0.524106 -1.653489
H -1.533416 2.667826 -1.380649
H -0.040179 2.978732 -2.316661
H -0.557344 4.134166 -1.047220
H 4.983386 -1.060510 -0.874387
H 1.045101 -3.624455 0.845239
H 5.308928 -3.394293 -0.005381
H 0.390759 -0.185966 -0.481220
H 3.316228 -4.674464 0.862303
H -3.131742 -1.729035 1.549663
H -1.220976 -0.112747 -1.990252
H -5.297371 -0.619063 0.894576
H -3.385122 0.956142 -2.675150
H -6.382540 0.710944 -0.763405


