%chk=000049140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049140

0 1
 O   0.4467000      6.8499997E-02  -2.088500    
 O   -1.243300     -0.9510000       2.143900    
 O   -3.190900       2.336100     -0.4135000    
 N   -1.239100       1.335600      -1.198100    
 N   -2.102800      0.8145000      0.9673000    
 C   0.1051000     -6.1799999E-02  0.3201000    
 C   0.7421000      -1.460300      0.2374000    
 C  -0.1974000      -2.511600     -0.3618000    
 C    1.119200      0.9021000      0.9567000    
 C  -0.2025000      0.4275000      -1.106300    
 C   -1.134600     -0.1348000       1.229100    
 C   -1.921000       1.834900     -3.2299999E-02
 C   -1.501000      -2.653600      0.4251000    
 C  -0.5077000      -2.142200      -1.814300    
 C    2.386900      0.9372000      0.1669000    
 C    3.583300      0.6044000      0.6726000    
 C    4.857000      0.6546000     -0.1043000    
 H    1.658200      -1.461100     -0.3667000    
 H    1.043500      -1.796500       1.239400    
 H   0.3222000      -3.478300     -0.3518000    
 H   0.7245000       1.923300       1.003200    
 H    1.312600      0.6107000       1.997800    
 H   -1.336300       2.651400      0.4016000    
 H   -1.464400       1.728100      -2.106600    
 H   -2.928300      0.8478000       1.556700    
 H   -2.255600      -1.884100      0.2550000    
 H   -1.338700      -2.950900       1.464300    
 H   -2.004300      -3.542900      1.2000000E-02
 H   -1.301600      -1.408300      -1.964400    
 H  -0.9652000      -3.041700      -2.258000    
 H   0.3903000      -2.023900      -2.426800    
 H    2.343200       1.308100     -0.8535000    
 H    3.655500      0.2608000       1.701100    
 H   -3.041800       2.954900      -1.148100    
 H    5.562400       1.336200      0.3807000    
 H    4.703700      0.9970000      -1.132600    
 H    5.310100     -0.3408000     -0.1408000    


%chk=000049140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049140

0 1
O 0.694949 0.933292 -2.010856
O -0.733251 -0.173368 2.523909
O -3.432669 0.547109 -0.676109
N -1.287380 1.665261 -1.098907
N -2.007028 1.106694 1.095364
C 0.214871 0.215420 0.295199
C 0.625020 -1.278876 0.074628
C -0.396094 -2.309266 -0.492622
C 1.464475 0.985344 0.936872
C -0.103545 0.921501 -1.030679
C -0.878152 0.333715 1.376185
C -2.425676 1.546354 -0.208980
C -1.611049 -2.584043 0.429019
C -0.867866 -2.004011 -1.936204
C 2.777860 0.844323 0.200079
C 3.911843 0.367220 0.778374
C 5.254143 0.256408 0.090603
H 1.504415 -1.254866 -0.595354
H 0.975655 -1.642894 1.060009
H 0.192137 -3.252013 -0.539373
H 1.186548 2.057849 1.013799
H 1.564375 0.597276 1.966766
H -2.932711 2.530672 -0.142579
H -1.416282 2.182103 -1.973490
H -2.718060 1.117346 1.831471
H -2.327322 -1.742725 0.417527
H -1.298909 -2.756690 1.474630
H -2.157161 -3.479651 0.076368
H -1.572071 -1.152179 -1.955073
H -1.404057 -2.878326 -2.351526
H -0.019239 -1.765418 -2.602150
H 2.792123 1.166902 -0.849385
H 3.872487 0.033817 1.828066
H -3.892265 0.884937 -1.489570
H 6.022734 0.860564 0.611692
H 5.199332 0.600110 -0.957198
H 5.617819 -0.789993 0.091994


