%chk=000042258.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042258

0 1
 O   0.7710000      -4.256200     -0.7138000    
 O    1.703700      -1.636900     -0.3343000    
 N   -3.005100      -1.213900     -0.6622000    
 C   -3.870400     -0.3398000      0.1276000    
 C   -5.002500      0.2042000     -0.7506000    
 C   -3.044800      0.8003000      0.7343000    
 C   -5.884800       1.183100      2.2399999E-02
 C   -3.929300       1.778900       1.504900    
 C   -5.065300       2.313900      0.6376000    
 C   -1.951800      -1.781400      0.1653000    
 C   -1.070500      -2.709800     -0.6672000    
 C   6.3699998E-02  -3.354700      0.1410000    
 C    1.084200      -2.373300      0.7127000    
 C    2.616700     -0.6850000      3.6899999E-02
 C    2.434100      0.6652000     -0.2945000    
 C    3.405600       1.611200      0.1106000    
 C    3.735500      -1.102500      0.7546000    
 C    1.311500       1.100300      -1.017700    
 C    4.528100       1.176300      0.8340000    
 C    4.690600     -0.1721000       1.153300    
 C    3.226000       2.964500     -0.2194000    
 C    1.149300       2.448700      -1.337000    
 C    2.104700       3.379000     -0.9387000    
 H   -4.326100     -0.9220000      0.9404000    
 H   -5.621800     -0.6202000      -1.125200    
 H   -4.587000      0.7145000      -1.629600    
 H   -2.305100      0.4404000       1.455800    
 H   -2.502400       1.343100     -5.0999999E-02
 H   -6.418300      0.6452000      0.8158000    
 H   -6.645100       1.601100     -0.6470000    
 H   -3.322500       2.614300       1.872200    
 H   -4.348800       1.277100       2.385800    
 H   -5.717400       2.956800       1.239400    
 H   -4.649400       2.939200     -0.1621000    
 H   -3.560100      -1.962300      -1.076400    
 H   -2.373100      -2.336200       1.011900    
 H   -1.293800      -1.001000      0.5501000    
 H   -1.682300      -3.510800      -1.104200    
 H  -0.6490000      -2.168700      -1.525000    
 H  -0.3686000      -3.947300      0.9556000    
 H   0.6138000      -1.688100       1.426700    
 H    1.842800      -2.952800       1.251900    
 H    1.440000      -4.710900     -0.1740000    
 H    3.895900      -2.149500      0.9951000    
 H   0.5453000      0.3997000      -1.342700    
 H    5.288000       1.885900       1.154600    
 H    5.566100     -0.4959000       1.708500    
 H    3.959900       3.709100      8.1900001E-02
 H   0.2759000       2.772100      -1.895900    
 H    1.977500       4.428600      -1.187300    


%chk=000042258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042258

0 1
O 0.648526 -3.813825 -1.528475
O 1.532745 -1.237138 -0.302514
N -3.145014 -0.998354 -0.426338
C -4.101628 -0.339483 0.496679
C -5.397717 -0.005859 -0.279482
C -3.498828 0.951597 1.105379
C -6.429827 0.731758 0.604524
C -4.523232 1.691086 1.998883
C -5.821397 2.013403 1.222022
C -1.979092 -1.661559 0.191943
C -1.114558 -2.322173 -0.899878
C 0.041993 -3.171128 -0.350335
C 1.068063 -2.382580 0.480090
C 2.511423 -0.406936 0.263618
C 2.932132 0.688459 -0.577520
C 3.934729 1.600418 -0.070815
C 3.060306 -0.588394 1.539715
C 2.386844 0.892444 -1.885437
C 4.484046 1.394483 1.239942
C 4.052637 0.323110 2.020317
C 4.351234 2.691693 -0.903056
C 2.815085 1.967068 -2.670479
C 3.804157 2.874159 -2.175616
H -4.379018 -1.018239 1.349096
H -5.841410 -0.939783 -0.684064
H -5.124591 0.626797 -1.148409
H -2.591863 0.714869 1.694762
H -3.178385 1.603168 0.267977
H -6.766197 0.058499 1.420431
H -7.327279 0.981350 0.005932
H -4.071880 2.621148 2.395268
H -4.772725 1.058836 2.877087
H -6.557177 2.503497 1.889084
H -5.590152 2.734271 0.410586
H -3.636031 -1.645182 -1.061327
H -2.278253 -2.428712 0.956478
H -1.383190 -0.896019 0.723407
H -1.742346 -2.993181 -1.519257
H -0.706272 -1.545420 -1.567240
H -0.362685 -3.952270 0.336875
H 0.601916 -2.033226 1.425608
H 1.930819 -3.034252 0.743255
H 1.471862 -4.294938 -1.257612
H 2.743470 -1.414014 2.183042
H 1.633194 0.191166 -2.254104
H 5.243555 2.089095 1.615865
H 4.471268 0.166570 3.020629
H 5.110524 3.384629 -0.521040
H 2.393334 2.117531 -3.670267
H 4.131486 3.712961 -2.800128


