%chk=000044700.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044700

0 1
 O    1.901200      -1.192800      0.3373000    
 O    3.258400      1.1700000E-02  -1.030700    
 N    1.166900      0.9196000     -0.4134000    
 C  -1.3700000E-02  0.7492000      0.3197000    
 C   -1.145900      0.1298000     -0.2345000    
 C   -2.311700     -1.4000000E-02  0.5547000    
 C    1.403700       2.145400      -1.231400    
 C  -3.0900000E-02   1.220200       1.632900    
 C   -1.146500     -0.3501000      -1.554400    
 C   -2.311200      0.4654000       1.874800    
 C   -1.177300       1.078300       2.409000    
 C   -3.443900     -0.6336000      7.9999998E-04
 C    2.202400     -7.9899997E-02 -0.4093000    
 C    2.091500       3.226900     -0.4242000    
 C   -2.280500     -0.9626000      -2.088500    
 C   -3.427000      -1.104100      -1.312500    
 C    2.882600      -2.236800      0.3514000    
 C    2.382000      -3.372400       1.218200    
 H    2.021500       1.878800      -2.095800    
 H   0.4391000       2.502900      -1.608400    
 H   0.8454000       1.695100       2.066900    
 H  -0.2732000     -0.2608000      -2.196000    
 H   -3.196000      0.3650000       2.499800    
 H   -1.189700       1.443400       3.431900    
 H   -4.351000     -0.7550000      0.5892000    
 H    1.468400       3.556300      0.4128000    
 H    3.042000       2.870900     -1.3800000E-02
 H    2.295900       4.098200      -1.054000    
 H   -2.268200      -1.329400      -3.110800    
 H   -4.309400      -1.581200      -1.728900    
 H    3.046900      -2.596100     -0.6705000    
 H    3.822700      -1.847800      0.7577000    
 H    3.108300      -4.189200       1.251200    
 H    2.194600      -3.023800       2.239200    
 H    1.431700      -3.758900      0.8353000    


%chk=000044700-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044700

0 1
O 1.999722 -1.206550 0.395930
O 3.356765 0.033091 -1.072064
N 1.216996 0.783829 -0.458109
C 0.023998 0.620902 0.345336
C -1.182050 0.128323 -0.272301
C -2.385110 0.035863 0.531099
C 1.358641 2.012196 -1.286365
C 0.032779 0.984011 1.694641
C -1.230743 -0.280720 -1.645582
C -2.340696 0.418374 1.912358
C -1.152855 0.877336 2.484579
C -3.591251 -0.447778 -0.077219
C 2.279459 -0.107525 -0.429707
C 1.974853 3.192613 -0.509794
C -2.420072 -0.749476 -2.207955
C -3.612376 -0.830064 -1.419780
C 3.079734 -2.231026 0.466855
C 2.569076 -3.330560 1.393220
H 1.998382 1.756534 -2.148886
H 0.353593 2.277672 -1.661010
H 0.964271 1.342924 2.144218
H -0.313778 -0.234006 -2.242292
H -3.254717 0.342867 2.513276
H -1.122334 1.164112 3.541187
H -4.499650 -0.515310 0.533498
H 1.357815 3.460686 0.366622
H 2.992305 2.937572 -0.166371
H 2.044631 4.081373 -1.163884
H -2.444337 -1.064246 -3.257032
H -4.538488 -1.198523 -1.874449
H 3.284553 -2.601032 -0.554280
H 3.999236 -1.750134 0.847788
H 3.332381 -4.124528 1.488814
H 2.354437 -2.929319 2.398523
H 1.643930 -3.780883 0.994836


