%chk=000080105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080105

0 1
 O    1.387900     -0.4929000     -6.3199997E-02
 O  -0.7447000      0.5077000     -0.1445000    
 N  -0.5783000      -1.893900      0.1152000    
 C   2.8800000E-02 -0.5754000      0.4071000    
 C    1.999500      0.7517000      0.2503000    
 C   -2.083400      0.5324000      0.3350000    
 C    3.424200      0.7473000     -0.2822000    
 C   -2.812500       1.705100     -0.3024000    
 C  -0.6542000      -2.159300      -1.321300    
 C   0.1348000      -2.971900      0.7999000    
 C    4.147800       2.044900      2.9999999E-02
 C   -4.249900       1.804200      0.1761000    
 H   4.7899999E-02 -0.4362000       1.496500    
 H    2.003000      0.8929000       1.337300    
 H    1.443300       1.574800     -0.2118000    
 H   -2.075900      0.6428000       1.425700    
 H   -2.608600     -0.3938000      7.9000004E-02
 H    3.974700     -9.8099999E-02  0.1474000    
 H    3.411400      0.5790000      -1.365800    
 H   -2.280000       2.636500     -7.5800002E-02
 H   -2.789500       1.602800      -1.394000    
 H   -1.234100      -1.388600      -1.839900    
 H   -1.170300      -3.108300      -1.505800    
 H   0.3361000      -2.215200      -1.787200    
 H  -0.3796000      -3.927400      0.6483000    
 H   0.1534000      -2.796000       1.881200    
 H    1.167400      -3.080100      0.4494000    
 H    4.205300       2.212000       1.110200    
 H    5.168700       2.013900     -0.3635000    
 H    3.635000       2.899100     -0.4234000    
 H   -4.293500       1.944800       1.260800    
 H   -4.749200       2.655500     -0.2969000    
 H   -4.810900      0.8986000     -7.6200001E-02


%chk=000080105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080105

0 1
O 1.379001 -0.444515 -0.195955
O -0.792513 0.419485 -0.252594
N -0.461482 -1.952355 -0.004665
C 0.032151 -0.641519 0.330856
C 1.993234 0.846318 0.175567
C -2.119132 0.532795 0.381559
C 3.461214 0.803945 -0.260810
C -2.870728 1.671138 -0.315937
C -0.526261 -2.259903 -1.448569
C 0.050596 -3.053649 0.829707
C 4.199531 2.118956 0.073647
C -4.278621 1.882705 0.283397
H 0.043690 -0.534244 1.444769
H 1.912947 0.992596 1.277857
H 1.447291 1.669951 -0.322935
H -1.998117 0.749091 1.467748
H -2.659840 -0.430188 0.280509
H 3.958789 -0.052649 0.232107
H 3.498335 0.611814 -1.349754
H -2.275488 2.600036 -0.231184
H -2.945517 1.436999 -1.394589
H -0.865687 -1.360690 -1.987397
H -1.253789 -3.075429 -1.616519
H 0.457739 -2.566343 -1.865027
H -0.589522 -3.944781 0.694554
H 0.012875 -2.765362 1.896185
H 1.098797 -3.336080 0.582209
H 4.192122 2.319235 1.161940
H 5.254115 2.073630 -0.252444
H 3.727527 2.982835 -0.431182
H -4.223664 2.145345 1.356918
H -4.809454 2.700743 -0.235676
H -4.895540 0.968990 0.191208


