%chk=000099863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099863

0 1
 O   -5.919000     -9.8200001E-02 -0.1281000    
 O    2.686200       2.636000     -0.4489000    
 O   2.3600001E-02   2.716900      0.2949000    
 N   -2.228000      0.1057000      0.1272000    
 C   -1.343300      0.4063000       1.244700    
 C   0.1051000      0.3883000      0.8340000    
 C   -3.622100      0.1184000      0.5487000    
 C   -4.578500     -0.1521000     -0.6154000    
 C    2.152800     -0.8405000      0.5461000    
 C   0.8101000     -0.8053000      0.9217000    
 C   0.7196000       1.547000      0.3775000    
 C    2.062600       1.511700      1.8000000E-03
 C    2.779100      0.3179000      8.6099997E-02
 C    2.918700      -2.116800      0.6376000    
 C   -4.374200      -1.521200      -1.251400    
 C    2.851500      -2.937100     -0.6245000    
 C    2.642400       2.882600      -1.852900    
 C    2.313600      -4.159700     -0.6991000    
 H   -1.484900     -0.3470000       2.032000    
 H   -1.600100       1.359700       1.723300    
 H   -3.791900     -0.6310000       1.332600    
 H   -3.877800       1.089300      0.9929000    
 H   -2.095100      0.7945000     -0.6131000    
 H   -4.475200      0.6225000      -1.384200    
 H   0.3210000      -1.708900       1.277200    
 H    3.825700      0.2965000     -0.2086000    
 H    3.973100      -1.902800      0.8558000    
 H    2.562800      -2.698300       1.498600    
 H   -5.128300      -1.696300      -2.026800    
 H   -4.497000      -2.319000     -0.5105000    
 H   -3.384600      -1.615200      -1.707800    
 H    3.284500      -2.505900      -1.524000    
 H   -6.061800      0.7905000      0.2399000    
 H  -0.9293000       2.541900      0.2442000    
 H    3.173400       3.817200      -2.053300    
 H    1.607800       2.987700      -2.194200    
 H    3.138200       2.074200      -2.399600    
 H    2.304800      -4.699700      -1.639500    
 H    1.874600      -4.639500      0.1686000    


%chk=000099863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099863

0 1
O -5.821723 -0.959997 -0.449872
O 3.438981 2.618073 0.247138
O 0.643123 3.204408 0.476773
N -2.172790 -0.022139 -0.198230
C -1.361389 1.030414 0.428946
C 0.137450 0.776258 0.273408
C -3.628725 0.101148 -0.022738
C -4.361189 -1.173945 -0.506414
C 2.019418 -0.804544 0.055685
C 0.632418 -0.542671 0.154583
C 1.055384 1.863425 0.294330
C 2.452332 1.619228 0.170696
C 2.913708 0.289123 0.058547
C 2.541387 -2.240527 -0.030573
C -4.074175 -2.395861 0.365605
C 1.845669 -3.077377 -1.089398
C 3.282834 3.820027 -0.597163
C 1.203848 -4.250372 -0.858098
H -1.628916 1.063077 1.505871
H -1.624423 2.051650 0.023445
H -3.846827 0.243945 1.053259
H -4.060945 0.987747 -0.560661
H -1.896416 -0.194674 -1.173844
H -4.053141 -1.381082 -1.558430
H -0.088111 -1.366736 0.150285
H 3.995890 0.138774 -0.021030
H 3.628050 -2.209354 -0.247600
H 2.430220 -2.742993 0.951081
H -4.553916 -3.295487 -0.055608
H -4.476969 -2.231441 1.380905
H -2.984988 -2.557682 0.435152
H 1.882748 -2.673771 -2.113064
H -6.057430 -0.177243 -1.011799
H -0.346426 3.259513 0.484926
H 4.192098 4.412197 -0.411884
H 2.382355 4.389285 -0.316469
H 3.232400 3.536312 -1.666824
H 0.728970 -4.816590 -1.667320
H 1.139316 -4.679819 0.149886


