%chk=000059464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059464

0 1
 O   -3.465700      0.4375000     -0.7174000    
 O   -1.772300      0.6921000      -2.259900    
 N   8.8600002E-02  0.9216000     -0.2989000    
 N    2.707400      -1.588100      -1.150500    
 C   0.7714000     -9.1200002E-02  -1.101300    
 C    2.027700     -0.5569000     -0.3765000    
 C   -1.273300      0.6642000      0.1222000    
 C   0.7486000       2.102300      5.9900001E-02
 C   -1.324200     -0.6025000      0.9451000    
 C    4.112400      -1.691000     -0.7518000    
 C    2.038300      -2.880300     -0.9880000    
 C   -2.165500      0.6127000      -1.103100    
 C    1.732700       2.632700     -0.7744000    
 C   0.4225000       2.748800       1.252200    
 C    4.241000      -2.112200      0.7023000    
 C    2.696500      -3.950600      -1.842100    
 C   -1.120800     -0.5467000       2.324100    
 C   -1.575000      -1.827100      0.3261000    
 C    2.390900       3.809200     -0.4163000    
 C    1.080600       3.925400       1.610100    
 C   -1.168000      -1.715600       3.083800    
 C   -1.622200      -2.995900       1.086000    
 C    2.064800       4.455600      0.7757000    
 C   -1.418700      -2.940100       2.464800    
 C   -4.418400      0.3432000      -1.781200    
 C   -5.799300      0.1526000      -1.191000    
 H   0.1193000     -0.9281000      -1.344500    
 H    1.032200      0.3212000      -2.084800    
 H    1.761400     -0.9059000      0.6300000    
 H    2.707900      0.2890000     -0.2344000    
 H   -1.702300       1.486400      0.7079000    
 H    4.676000      -2.368400      -1.401900    
 H    4.601400     -0.7175000     -0.8888000    
 H    1.954300      -3.213800      5.2400000E-02
 H    1.009100      -2.807300      -1.355200    
 H    2.004000       2.178400      -1.721900    
 H  -0.3138000       2.369400       1.950200    
 H    3.740200      -1.436700       1.401400    
 H    3.902900      -3.135000      0.8896000    
 H    5.303100      -2.094500      0.9758000    
 H    2.047500      -4.832500      -1.888300    
 H    3.653000      -4.287600      -1.431600    
 H    2.852800      -3.608800      -2.871100    
 H  -0.9315000      0.3954000       2.827600    
 H   -1.751200      -1.913100     -0.7420000    
 H    3.153900       4.225100      -1.067900    
 H   0.8314000       4.426400       2.541100    
 H   -1.011100      -1.672300       4.157600    
 H   -1.819400      -3.949300      0.6046000    
 H    2.577400       5.371600       1.054500    
 H   -1.456100      -3.850100       3.056400    
 H   -4.393600       1.263000      -2.376100    
 H   -4.167800     -0.5107000      -2.420300    
 H   -6.554100      7.5800002E-02  -1.978500    
 H   -6.056700      0.9903000     -0.5344000    
 H   -5.834100     -0.7539000     -0.5777000    


%chk=000059464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059464

0 1
O -3.418766 1.036073 -0.400388
O -2.218036 -0.207504 -1.963050
N 0.053375 0.663293 -0.155727
N 2.939455 -1.775720 -0.783336
C 0.934441 -0.282269 -0.876140
C 2.081564 -0.856734 0.001813
C -1.270080 0.193390 0.313335
C 0.348589 2.047235 -0.141848
C -1.234350 -1.210922 0.935236
C 4.382539 -1.701608 -0.442484
C 2.381618 -3.150206 -0.871135
C -2.319018 0.288265 -0.816486
C 1.642970 2.519439 -0.527345
C -0.617218 3.027528 0.252491
C 4.785363 -2.228850 0.963338
C 3.024874 -4.000625 -1.982339
C -0.851808 -1.325826 2.296941
C -1.563908 -2.385077 0.214292
C 1.956255 3.892307 -0.492550
C -0.283081 4.397167 0.292650
C -0.797527 -2.587191 2.927457
C -1.507013 -3.649791 0.844333
C 1.004078 4.849868 -0.073913
C -1.124604 -3.756299 2.200389
C -4.517931 1.214411 -1.404980
C -5.561708 2.120234 -0.761599
H 0.317247 -1.106794 -1.268262
H 1.375018 0.212179 -1.760261
H 1.637587 -1.344523 0.900264
H 2.702432 -0.020337 0.372537
H -1.603006 0.878327 1.110702
H 4.950837 -2.252088 -1.215137
H 4.688034 -0.641359 -0.533001
H 2.453976 -3.692842 0.105277
H 1.300928 -3.053901 -1.083143
H 2.413780 1.815250 -0.850599
H -1.644026 2.741829 0.497008
H 4.252996 -1.681435 1.762839
H 4.557864 -3.304680 1.075740
H 5.871513 -2.095379 1.124560
H 2.489848 -4.963113 -2.082281
H 4.084786 -4.231815 -1.771610
H 2.973283 -3.467139 -2.947993
H -0.594331 -0.421321 2.861506
H -1.864943 -2.312605 -0.836556
H 2.960478 4.213309 -0.793930
H -1.049948 5.118117 0.600375
H -0.504626 -2.658425 3.980877
H -1.765122 -4.550014 0.275331
H 1.254191 5.915302 -0.044964
H -1.085997 -4.736948 2.687754
H -4.077872 1.649981 -2.319767
H -4.916559 0.214370 -1.654389
H -6.401095 2.278515 -1.463048
H -5.129188 3.104006 -0.511533
H -5.962055 1.669140 0.162352


