%chk=000048033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048033

0 1
 O   0.8027000      -3.518900      0.5252000    
 O    5.715700      0.3316000     -6.7900002E-02
 N   -1.923100       2.652100      0.2552000    
 N  -0.3314000      -1.547400     -6.8700001E-02
 C   -1.860700       3.446900       1.489800    
 C  -0.6498000       2.706600     -0.4766000    
 C   -2.281100       1.266300      0.5566000    
 C   -1.535400       4.910400       1.187800    
 C  -0.2850000       4.146200     -0.8430000    
 C  -0.2413000       5.038300      0.3921000    
 C   -2.364400      0.3963000     -0.7139000    
 C   -2.689600      -1.045800     -0.3535000    
 C   -3.367100      0.9378000      -1.741000    
 C   -1.674400      -1.932300     -5.2800000E-02
 C   -4.018800      -1.423800     -0.3399000    
 C   -2.000100      -3.248500      0.2744000    
 C   -4.344300      -2.740200     -1.2700000E-02
 C   -3.335100      -3.652500      0.2944000    
 C   0.7926000      -2.333600      0.2111000    
 C    2.097700      -1.625800      0.1375000    
 C    3.149700      -2.090500      0.8986000    
 C    2.214600     -0.5283000     -0.6895000    
 C    4.374900      -1.427200      0.8296000    
 C    3.439700      0.1350000     -0.7586000    
 C    4.519900     -0.3144000      8.9999998E-04
 C    5.794100       1.462000     -0.9351000    
 H   -1.110300       3.039500       2.180200    
 H   -2.829100       3.411900       2.003500    
 H  -0.6938000       2.183600      -1.434500    
 H   0.1613000       2.256500      0.1109000    
 H   -3.256100       1.248300       1.062200    
 H   -1.558700      0.8289000       1.259600    
 H   -2.359600       5.360300      0.6198000    
 H   -1.449800       5.471700       2.125200    
 H   -1.020600       4.543000      -1.554400    
 H   0.6887000       4.165500      -1.345800    
 H  -8.1799999E-02   6.081400      9.7800002E-02
 H   0.6070000       4.747600       1.023700    
 H   -1.420900      0.3719000      -1.263100    
 H   -3.532000      0.2323000      -2.563800    
 H   -4.335000       1.188000      -1.292900    
 H   -2.992700       1.863100      -2.193500    
 H   -4.838100     -0.7443000     -0.5433000    
 H   -1.284100      -4.017400      0.5251000    
 H   -5.384000      -3.053700      9.4999997E-03
 H  -0.1652000     -0.5613000     -0.2219000    
 H   -3.590300      -4.676900      0.5506000    
 H    3.053200      -2.951300       1.553400    
 H    1.415000     -0.1697000      -1.329300    
 H    5.212500      -1.781100       1.424400    
 H    3.485900      0.9864000      -1.429000    
 H    5.633200       1.178600      -1.980900    
 H    5.120300       2.263500     -0.6137000    
 H    6.814000       1.854000     -0.8637000    


%chk=000048033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048033

0 1
O 0.741073 -3.370018 0.957179
O 5.816630 0.372268 -0.284257
N -1.773178 2.571003 0.249917
N -0.409415 -1.560831 -0.020545
C -2.122508 3.493155 1.363280
C -0.321027 2.624069 -0.056125
C -2.257322 1.190711 0.490744
C -1.744689 4.948072 1.019603
C 0.119967 4.051652 -0.440230
C -0.241238 5.056036 0.677639
C -2.449909 0.357269 -0.820451
C -2.782865 -1.096285 -0.450473
C -3.484124 1.043873 -1.738324
C -1.761727 -2.012429 -0.022286
C -4.118316 -1.561667 -0.470268
C -2.099388 -3.335230 0.371118
C -4.460421 -2.875591 -0.081284
C -3.443426 -3.758210 0.341028
C 0.746540 -2.228378 0.397472
C 2.031514 -1.481923 0.159786
C 3.152542 -1.836892 0.960598
C 2.202304 -0.488465 -0.836814
C 4.390499 -1.201496 0.794004
C 3.444274 0.156482 -1.023322
C 4.541695 -0.196295 -0.197695
C 6.038765 1.401929 -1.304150
H -1.602489 3.196511 2.313030
H -3.210474 3.416622 1.545903
H -0.106687 1.936906 -0.896761
H 0.286391 2.273259 0.821737
H -3.246912 1.252466 0.982738
H -1.588505 0.636515 1.197555
H -2.346953 5.275892 0.150213
H -1.999846 5.605168 1.873121
H -0.392462 4.342024 -1.377870
H 1.210052 4.058517 -0.634937
H 0.014371 6.087418 0.369399
H 0.359214 4.830434 1.583341
H -1.492210 0.371790 -1.388845
H -3.629461 0.479028 -2.676508
H -4.465894 1.146410 -1.239991
H -3.134783 2.062832 -1.974654
H -4.910461 -0.884111 -0.803147
H -1.303998 -4.004079 0.703455
H -5.505730 -3.201661 -0.109052
H -0.269569 -0.601841 -0.339711
H -3.689445 -4.780597 0.648783
H 3.022207 -2.627912 1.705749
H 1.383681 -0.233449 -1.521936
H 5.255885 -1.463695 1.409675
H 3.547470 0.906473 -1.812753
H 5.877102 0.999321 -2.322732
H 5.381741 2.277980 -1.140195
H 7.090520 1.699569 -1.185647


