%chk=000040985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040985

0 1
 O    4.150600       3.268400      -1.210900    
 O   -3.262200      7.8299999E-02  -1.103800    
 N    3.437200       1.891800      0.4695000    
 N   -2.645400      9.1200002E-02   1.166200    
 N   -5.880600     -0.1586000     -0.5538000    
 C    3.028900      0.5917000      0.9973000    
 C    3.716600     -0.5584000      0.3021000    
 C    4.236200     -0.3850000     -0.9885000    
 C    1.517400      0.4583000       1.042400    
 C    4.094500      0.9314000      -1.698700    
 C    3.910400       2.132000     -0.7996000    
 C    3.828100      -1.807400      0.9316000    
 C    4.843200      -1.468000      -1.639600    
 C   0.7898000      0.4134000     -0.1445000    
 C   0.8644000      0.3815000       2.270200    
 C    4.445700      -2.874500      0.2806000    
 C    4.951500      -2.705200      -1.005300    
 C   -1.256200      0.2136000       1.124700    
 C  -0.5991000      0.2909000     -0.1032000    
 C  -0.5245000      0.2590000       2.311300    
 C   -4.975400     -0.1039000      0.5851000    
 C   -7.264900     -0.2759000     -0.1150000    
 C   -3.546200      2.9300001E-02  8.8699996E-02
 C   -8.202600     -0.2967000      -1.319600    
 C   -9.657300     -0.3973000     -0.8874000    
 H    3.410300      0.6084000       2.027700    
 H    5.000100       1.116200      -2.289700    
 H    3.241800      0.8857000      -2.384800    
 H    3.301500       2.698300       1.071900    
 H    3.431400      -1.954800       1.933100    
 H    5.234800      -1.352400      -2.647200    
 H    1.276000      0.4733000      -1.112200    
 H    1.420800      0.4151000       3.202800    
 H    4.527600      -3.838100      0.7747000    
 H    5.427200      -3.537300      -1.516200    
 H   -1.095100      0.2628000      -1.063100    
 H   -1.023400      0.1997000       3.275300    
 H   -3.047400      3.9999999E-02   2.100100    
 H   -5.048700      -1.015700       1.189200    
 H   -5.198400      0.7643000       1.216200    
 H   -7.526900      0.5736000      0.5274000    
 H   -7.401300      -1.193600      0.4700000    
 H   -5.642900     -0.9562000      -1.143400    
 H   -7.963400      -1.147300      -1.969500    
 H   -8.069600      0.6142000      -1.916000    
 H   -9.834400      -1.314000     -0.3159000    
 H   -9.941700      0.4569000     -0.2645000    
 H   -10.31280     -0.4115000      -1.763800    


%chk=000040985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040985

0 1
O 4.623157 3.138792 -1.804163
O -3.569302 -0.217934 -1.027767
N 3.247106 1.880515 -0.421435
N -2.752914 0.095308 1.155442
N -6.179589 0.053720 -0.115967
C 2.972532 0.757641 0.513041
C 3.704036 -0.508671 0.038833
C 4.934563 -0.368003 -0.656226
C 1.462922 0.584629 0.664950
C 5.497811 1.018690 -0.917989
C 4.432797 2.103114 -1.099010
C 3.203408 -1.800299 0.324171
C 5.630285 -1.526039 -1.077913
C 0.637874 0.371338 -0.468347
C 0.855138 0.629358 1.941140
C 3.911499 -2.951398 -0.086001
C 5.127329 -2.814602 -0.793787
C -1.353747 0.250920 0.942709
C -0.755287 0.207992 -0.347221
C -0.536253 0.461973 2.084423
C -5.151353 -0.359914 0.837363
C -7.526190 -0.492050 0.127999
C -3.758562 -0.143590 0.222051
C -8.525648 0.011019 -0.931761
C -9.946988 -0.550388 -0.715404
H 3.377307 1.017470 1.518540
H 6.137423 1.335016 -0.065868
H 6.143325 1.039763 -1.811412
H 2.540440 2.618070 -0.491072
H 2.251903 -1.906529 0.856031
H 6.571147 -1.415230 -1.630243
H 1.096198 0.330832 -1.463063
H 1.472400 0.797770 2.831939
H 3.512132 -3.946950 0.136326
H 5.675819 -3.703008 -1.125722
H -1.385901 0.051645 -1.223952
H -0.988341 0.499853 3.083893
H -3.060378 0.175881 2.128187
H -5.215603 -1.448806 1.109271
H -5.250125 0.205615 1.788601
H -7.865668 -0.161959 1.131467
H -7.538107 -1.614043 0.143802
H -5.848972 -0.074865 -1.083462
H -8.161918 -0.277034 -1.939738
H -8.538656 1.116833 -0.904956
H -9.953769 -1.655501 -0.768260
H -10.343710 -0.257809 0.275117
H -10.645970 -0.171632 -1.482655


