%chk=000088585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088585

0 1
 O    3.300200     -0.3836000      -2.355200    
 O    4.031200     -0.9661000       2.182700    
 O   -4.302300      -1.671000      -1.642600    
 O   -2.436700       1.607700       1.047500    
 N  -5.0099999E-02  -2.402100      0.2925000    
 N    3.360200     -0.9768000     -7.6600000E-02
 N   -2.975500     -0.2063000     -0.3594000    
 C   0.9920000      -1.383100      0.2847000    
 C   -1.364100      -1.794800      0.5131000    
 C    2.341600      -2.007200     -4.6100002E-02
 C   -1.666400     -0.7745000     -0.5769000    
 C   0.2214000      -3.409900       1.319300    
 C    3.718100     -0.2874000      -1.216200    
 C    4.078500     -0.5772000       1.030600    
 C   -4.137900     -0.7139000     -0.9090000    
 C   -3.212400      0.9085000      0.4225000    
 C    4.759100      0.6513000     -0.7994000    
 C    4.977000      0.4761000      0.5591000    
 C   -5.217200      0.1477000     -0.4280000    
 C   -4.657500       1.128800      0.3772000    
 C    5.461900       1.581000      -1.537800    
 C    5.909500       1.221400       1.251000    
 C   -6.574200      8.7700002E-02 -0.6696000    
 C   -5.425600       2.101700      0.9832000    
 C    6.411700       2.348400     -0.8575000    
 C    6.633500       2.170200      0.5234000    
 C   -7.372400       1.063100     -6.5300003E-02
 C   -6.803600       2.060500      0.7529000    
 H    1.039200     -0.8456000       1.241300    
 H   0.8289000     -0.6346000     -0.4952000    
 H   -1.419200      -1.320500       1.502500    
 H   -2.137900      -2.573300      0.4918000    
 H    2.310000      -2.500900      -1.024400    
 H    2.658000      -2.733300      0.7083000    
 H   -1.644300      -1.246800      -1.565700    
 H  -0.9787000      7.3899999E-02 -0.5699000    
 H  -0.6313000      -4.092700       1.419300    
 H   0.4077000      -2.965300       2.303700    
 H    1.064500      -4.052600       1.048600    
 H    5.292100       1.717900      -2.599200    
 H    6.080500       1.084500       2.312200    
 H   -7.011600     -0.6785000      -1.298900    
 H   -4.988700       2.868500       1.612000    
 H    6.989100       3.093500      -1.398700    
 H    7.378700       2.780500       1.027200    
 H   -8.447200       1.054900     -0.2275000    
 H   -7.448000       2.807100       1.210000    


%chk=000088585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088585

0 1
O 2.448487 0.706560 -1.776158
O 4.739643 -1.893245 1.412803
O -4.513299 -2.218261 -1.101338
O -2.282150 1.658465 0.374612
N -0.016510 -2.375543 0.680665
N 3.338569 -0.825538 -0.188131
N -3.091584 -0.438750 -0.406456
C 1.085017 -1.390296 0.739277
C -1.364750 -1.781922 0.802764
C 2.241135 -1.801370 -0.208853
C -1.799801 -1.127486 -0.533721
C 0.199171 -3.544806 1.558695
C 3.351384 0.366227 -0.971682
C 4.500833 -0.939637 0.630330
C -4.352370 -1.040600 -0.695130
C -3.233323 0.906068 0.046375
C 4.632054 1.062856 -0.623552
C 5.320817 0.281324 0.336616
C -5.376936 0.017774 -0.414010
C -4.706700 1.183872 0.030273
C 5.158829 2.272665 -1.098119
C 6.560711 0.684891 0.853843
C -6.773732 -0.022862 -0.533992
C -5.411106 2.348217 0.369778
C 6.412896 2.690549 -0.580247
C 7.102908 1.908702 0.380547
C -7.496534 1.150411 -0.192547
C -6.825626 2.317751 0.252384
H 1.484548 -1.273727 1.774979
H 0.709867 -0.401166 0.422515
H -1.427786 -1.023009 1.619622
H -2.080798 -2.587654 1.045826
H 1.851348 -1.873075 -1.238091
H 2.661177 -2.777541 0.088020
H -1.896958 -1.905921 -1.308363
H -1.052611 -0.384671 -0.863175
H -0.568917 -4.311018 1.354376
H 0.163534 -3.291328 2.646757
H 1.185117 -3.996855 1.353148
H 4.616474 2.867132 -1.839909
H 7.084861 0.073310 1.594864
H -7.280168 -0.929405 -0.879745
H -4.882288 3.243751 0.710747
H 6.856106 3.630541 -0.926002
H 8.068883 2.256517 0.762114
H -8.588791 1.156816 -0.273517
H -7.409832 3.208187 0.508309


