%chk=000090095.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090095

0 1
 O    1.248100       1.664300       1.690600    
 O  -7.8699999E-02  -3.207700      0.2922000    
 O    3.304000      7.3299997E-02 -0.7828000    
 O   -1.057700      -4.906300     -0.7335000    
 O    5.295200      0.6642000     -1.9700000E-02
 O   -4.774000       3.404100     -8.3700001E-02
 O   -1.576600      -4.499900       1.475200    
 O    4.485500       1.697100      -1.914700    
 N   0.6602000     -0.5057000     -2.4999999E-03
 N   -3.690000       1.447600     -0.8292000    
 C    1.145200      -1.306700       1.102900    
 C    1.132900     -0.7883000      -1.342400    
 C  -0.2729000      0.5299000      0.2217000    
 C   3.8699999E-02   1.596000       1.065400    
 C   0.1384000      -2.393900       1.438000    
 C    2.239100      0.1826000      -1.718900    
 C   -1.515600      0.4802000     -0.4097000    
 C   -2.446800       1.496800     -0.1975000    
 C  -0.8926000       2.612700       1.277700    
 C   -2.135300       2.563000      0.6462000    
 C    1.477900       2.790600       2.534100    
 C   -4.743200       2.367500     -0.7389000    
 C  -0.9672000      -4.233900      0.4480000    
 C    4.375300      0.8937000     -0.9982000    
 C   -5.923600       1.950100      -1.579700    
 C   -1.955800      -6.020900     -0.7431000    
 C    6.489300       1.449700     -9.7499996E-02
 H    2.097000      -1.779000      0.8294000    
 H    1.347400     -0.7145000       2.000100    
 H    1.528700      -1.810300      -1.391600    
 H   0.3243000     -0.7368000      -2.079900    
 H   0.5308000      -3.012100       2.253900    
 H  -0.8130000      -1.952100       1.757600    
 H    2.609200     -6.0899999E-02  -2.721600    
 H    1.861800       1.212300      -1.723300    
 H   -1.768500     -0.3560000      -1.058100    
 H  -0.7211000       3.470900       1.918400    
 H   -2.804300       3.385200      0.8585000    
 H   -3.841200      0.6385000      -1.428100    
 H    1.468200       3.728400       1.968100    
 H   0.7874000       2.807000       3.384200    
 H    2.486000       2.681400       2.947600    
 H   -6.278300      0.9664000      -1.259300    
 H   -5.630600       1.908300      -2.632600    
 H   -6.735100       2.673900      -1.464800    
 H   -1.933500      -6.466900      -1.741000    
 H   -2.975800      -5.687000     -0.5304000    
 H   -1.634700      -6.772200     -1.5300000E-02
 H    7.136100       1.168600      0.7379000    
 H    6.248500       2.513700     -1.2800000E-02
 H    7.016600       1.245500      -1.034300    


%chk=000090095-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090095

0 1
O 0.714703 1.852390 2.288809
O 0.181586 -2.750118 0.293995
O 3.457453 -0.238956 -1.113133
O -0.601171 -4.588136 -0.694290
O 5.619570 -0.563977 -0.686210
O -5.443437 3.055273 -0.036194
O -0.882006 -4.367407 1.629212
O 5.025280 1.141555 -2.191474
N 0.683299 0.162039 0.060545
N -3.895675 1.574027 -1.000708
C 1.282552 -0.721412 1.086560
C 1.025844 -0.127140 -1.344754
C -0.465560 0.930010 0.387944
C -0.478188 1.796642 1.537069
C 0.377190 -1.884139 1.502828
C 2.350490 0.507304 -1.787537
C -1.640819 0.895205 -0.406113
C -2.780324 1.689311 -0.114976
C -1.626111 2.558992 1.839699
C -2.778098 2.527264 1.024488
C 0.764077 2.796415 3.406835
C -5.128756 2.221813 -0.938256
C -0.474261 -3.939502 0.525293
C 4.727712 0.209295 -1.410381
C -6.100591 1.850211 -2.058676
C -1.267140 -5.909645 -0.613075
C 7.043921 -0.213543 -0.899276
H 2.235941 -1.107697 0.693250
H 1.505513 -0.130266 1.992549
H 1.055269 -1.217816 -1.529960
H 0.252616 0.299689 -2.006829
H 0.839634 -2.490256 2.303388
H -0.617096 -1.538869 1.839456
H 2.492124 0.418227 -2.881485
H 2.408654 1.569516 -1.493504
H -1.679615 0.200519 -1.254426
H -1.630112 3.220463 2.711239
H -3.655109 3.132437 1.255653
H -3.767140 0.926105 -1.780551
H 0.595170 3.834558 3.061283
H 0.021859 2.540477 4.187945
H 1.780819 2.701970 3.816441
H -5.697794 1.120379 -2.783080
H -6.388170 2.767251 -2.601265
H -7.019947 1.434697 -1.610961
H -1.289325 -6.271973 -1.650129
H -2.287254 -5.802681 -0.207245
H -0.688851 -6.592118 0.032260
H 7.597906 -0.904408 -0.249055
H 7.228410 0.835596 -0.613272
H 7.320661 -0.357169 -1.957323


