%chk=000054682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054682

0 1
 O    1.348600      -1.605200      -1.802500    
 O    5.093600     -0.2754000     -0.1631000    
 O    4.728400       2.012700       1.377300    
 O    3.583700      -2.191300      -1.790800    
 O   -3.643800       2.446500      -1.271300    
 O   -5.517000       1.246900      0.3906000    
 O   -3.111200      -2.969600       2.045400    
 N  -0.5155000      -1.153800     -0.3702000    
 N  -0.1734000      -2.325700      0.2374000    
 C   0.5056000     -0.5726000      -1.227800    
 C    1.476000      0.2417000     -0.4651000    
 C    2.742600     -0.2899000     -0.6071000    
 C   -1.759100     -0.5272000     -0.2007000    
 C    2.666700      -1.468700      -1.454900    
 C    1.279200       1.383000      0.2929000    
 C    3.859000      0.2661000     -9.7000003E-03
 C   -2.732000      -1.099100      0.6300000    
 C    3.669900       1.414000      0.7607000    
 C   -2.104000      0.6798000     -0.8324000    
 C    2.388200       1.969600      0.9107000    
 C   -3.987600     -0.5193000      0.8357000    
 C   -2.379100      -2.353300       1.291600    
 C   -3.356600       1.274400     -0.6374000    
 C   -4.296900      0.6751000      0.1954000    
 C   -1.024900      -2.902600       1.015600    
 C    6.098300      0.5468000     -0.7598000    
 C    5.039700       1.575300       2.698100    
 C   -3.317200       3.651700     -0.5828000    
 C   -6.561000      0.8702000     -0.5057000    
 H   0.1073000     -3.1199999E-02  -2.090400    
 H   0.2971000       1.825200      0.4137000    
 H   -1.411500       1.200500      -1.487100    
 H    2.251400       2.866200       1.510400    
 H   -4.719800     -0.9882000       1.487500    
 H  -0.7809000      -3.849300       1.522200    
 H    6.688800       1.039800      1.7300000E-02
 H    6.766200     -0.1023000      -1.333500    
 H    5.670400       1.288500      -1.443300    
 H    5.283600      0.5082000       2.704000    
 H    4.202300       1.773200       3.374600    
 H    5.911600       2.134700       3.047600    
 H   -3.865400       3.716400      0.3625000    
 H   -3.607500       4.496200      -1.213600    
 H   -2.239900       3.707400     -0.3970000    
 H   -6.299000       1.134200      -1.535100    
 H   -6.760600     -0.2035000     -0.4318000    
 H   -7.466600       1.414800     -0.2248000    


%chk=000054682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054682

0 1
O 0.656971 0.199815 -1.383401
O 5.016600 -0.372325 -0.828225
O 5.882426 0.880762 1.661401
O 2.458993 -0.737273 -2.539745
O -4.164855 1.886412 -2.120291
O -6.118679 0.501518 -0.438185
O -3.196210 -1.861638 3.136467
N -0.574952 0.193075 0.707889
N -0.083670 -0.625367 1.706283
C 0.439946 0.898063 -0.079265
C 1.818111 0.969577 0.551689
C 2.747780 0.345019 -0.306968
C -1.949218 0.290507 0.384923
C 2.056944 -0.156833 -1.525450
C 2.223125 1.593963 1.740182
C 4.124220 0.293634 0.015682
C -2.893164 -0.391679 1.218197
C 4.533399 0.884263 1.251703
C -2.407217 1.048335 -0.725583
C 3.593596 1.541116 2.081162
C -4.276094 -0.301925 0.919632
C -2.421667 -1.230960 2.341139
C -3.782970 1.148535 -0.988532
C -4.733503 0.443047 -0.171275
C -0.954667 -1.290268 2.459434
C 6.092713 0.459773 -1.426011
C 6.452025 -0.465041 1.931345
C -5.129084 2.992145 -1.884651
C -6.530362 -0.203584 -1.678814
H 0.045544 1.897943 -0.330822
H 1.502750 2.078779 2.405274
H -1.726609 1.537991 -1.425091
H 3.964772 1.989192 3.008182
H -4.982700 -0.849210 1.551404
H -0.516160 -1.918553 3.241385
H 6.678524 0.972667 -0.642614
H 6.720134 -0.248183 -1.986297
H 5.647715 1.196356 -2.118770
H 6.368140 -1.116517 1.043855
H 5.929841 -0.927249 2.789397
H 7.507603 -0.286642 2.184098
H -6.029355 2.628814 -1.360574
H -5.382218 3.369265 -2.886357
H -4.640898 3.788863 -1.293179
H -6.008439 0.209590 -2.561304
H -6.316213 -1.284343 -1.585775
H -7.615270 -0.040527 -1.760248


