%chk=000108526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108526

0 1
 O    1.294400      -4.255900     -6.2300000E-02
 N    2.373200     -0.4331000     -0.9069000    
 N    1.517000      -2.069600      0.6258000    
 N   -6.255500      0.8803000     -0.3620000    
 C    1.577400     -0.6419000      0.3133000    
 C    2.299700      0.2262000       1.435400    
 C    3.092100       1.190500      0.5683000    
 C    3.151600      0.7001000     -0.7436000    
 C    2.649600      -1.476800      -1.869500    
 C    3.314300     -0.5940000       2.262800    
 C    1.344300      0.9475000       2.396100    
 C   0.1665000     -0.1915000      1.3500000E-02
 C    1.608000      -2.582200      -1.757200    
 C    1.471600      -3.069000     -0.3297000    
 C    3.776600       2.338900      0.9438000    
 C    3.925900       1.350000      -1.693400    
 C  -0.9126000     -0.6661000      0.6548000    
 C    4.536700       3.003400     -1.8200001E-02
 C    4.615500       2.509100      -1.326800    
 C   -2.304000     -0.2633000      0.3900000    
 C   -2.552200      0.9349000     -0.2604000    
 C   -3.339500      -1.090200      0.7962000    
 C   -3.870200       1.316400     -0.5112000    
 C   -4.657500     -0.7088000      0.5454000    
 C   -4.922900      0.4945000     -0.1085000    
 C   -6.577000       1.693600      -1.518000    
 C   -7.323200      0.4569000      0.5222000    
 H    3.645600      -1.894400      -1.676800    
 H    2.643900      -1.075800      -2.889000    
 H    1.369800      -2.346500       1.591800    
 H    3.922100      5.5300001E-02   2.904900    
 H    2.807500      -1.309700       2.919100    
 H    4.008100      -1.152300       1.622900    
 H   0.7144000      0.2339000       2.937700    
 H    1.899600       1.519100       3.149700    
 H   0.6988000       1.666800       1.879900    
 H   5.8899999E-02  0.5457000     -0.7777000    
 H    1.896600      -3.426200      -2.393000    
 H   0.6253000      -2.230700      -2.091500    
 H    3.745500       2.706500       1.963700    
 H    3.991300      0.9863000      -2.713900    
 H  -0.7981000      -1.405900       1.443400    
 H    5.083500       3.902900      0.2512000    
 H    5.218100       3.033100      -2.063700    
 H   -1.767000       1.617900     -0.5681000    
 H   -3.148400      -2.032600       1.302700    
 H   -4.043500       2.267500      -1.006800    
 H   -5.453000      -1.377700      0.8611000    
 H   -7.643300       1.629900      -1.762100    
 H   -6.030100       1.360500      -2.407400    
 H   -6.345700       2.746900      -1.327800    
 H   -8.211100       1.087400      0.3992000    
 H   -7.027100      0.5332000       1.574500    
 H   -7.619800     -0.5750000      0.3063000    


%chk=000108526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108526

0 1
O 1.632922 -4.373270 0.446240
N 2.499177 -0.609052 -0.691633
N 1.635897 -2.109810 0.976449
N -6.310213 0.947023 -0.486458
C 1.665553 -0.702942 0.553445
C 2.478898 0.247965 1.561074
C 3.113371 1.231397 0.560094
C 3.160509 0.619060 -0.728049
C 2.333960 -1.538921 -1.808424
C 3.637774 -0.533352 2.250174
C 1.588764 0.910778 2.631711
C 0.269853 -0.147228 0.264272
C 1.434482 -2.734542 -1.390577
C 1.589884 -3.162925 0.073437
C 3.706918 2.480644 0.769482
C 3.814899 1.244874 -1.812672
C -0.905974 -0.795396 0.504852
C 4.354455 3.135704 -0.317179
C 4.411052 2.512255 -1.584714
C -2.268726 -0.312010 0.235719
C -2.564383 0.967551 -0.317583
C -3.378686 -1.150660 0.538415
C -3.881832 1.385353 -0.555373
C -4.705608 -0.752125 0.307911
C -4.995691 0.534369 -0.249336
C -6.575869 2.278117 -1.045684
C -7.428948 0.051946 -0.166932
H 3.333435 -1.911133 -2.113154
H 1.887461 -1.039248 -2.696235
H 1.755954 -2.347797 1.963321
H 4.316465 0.185895 2.742074
H 3.268913 -1.225207 3.032055
H 4.221347 -1.113171 1.514628
H 1.084218 0.151367 3.258192
H 2.208342 1.537440 3.299598
H 0.809130 1.548989 2.184406
H 0.284626 0.857749 -0.180254
H 1.647243 -3.614122 -2.017410
H 0.372786 -2.463156 -1.539013
H 3.678047 2.954787 1.758042
H 3.861360 0.775277 -2.800830
H -0.845551 -1.799414 0.952102
H 4.812242 4.119589 -0.170066
H 4.919877 3.018675 -2.413479
H -1.746950 1.654096 -0.567388
H -3.191596 -2.144146 0.966389
H -4.050366 2.378324 -0.981679
H -5.516324 -1.440719 0.561433
H -7.662843 2.420770 -1.151443
H -6.117838 2.404751 -2.048070
H -6.189786 3.085699 -0.390519
H -8.378810 0.542982 -0.430698
H -7.462997 -0.197642 0.913514
H -7.369122 -0.899443 -0.733976


