%chk=000076371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076371

1 1
 O   0.9579000     -0.5459000     -0.5888000    
 O   -5.210900       1.423600      0.8079000    
 O   -3.793600       2.376500     -0.5712000    
 N    3.266700     -6.1000001E-02 -0.4577000    
 N   -4.156800       1.399600      0.1276000    
 C   -1.382800     -0.9671000     -0.5786000    
 C  -0.1253000      -1.021200      -1.378700    
 C    2.181100     -0.5790000      -1.312000    
 C   -2.174400      0.1812000     -0.5994000    
 C   -1.766700      -2.065000      0.1915000    
 C   -3.349900      0.2315000      0.1497000    
 C    3.936400     -0.9251000      0.3047000    
 C    3.525500       1.246000     -0.4900000    
 C   -2.942000      -2.014600      0.9408000    
 C   -3.733700     -0.8663000      0.9197000    
 C    4.962800     -0.4663000       1.117800    
 C    4.540900       1.761200      0.3030000    
 C    5.264900      0.8921000       1.113800    
 H   7.3799998E-02  -2.050600      -1.702600    
 H  -0.2243000     -0.4083000      -2.283600    
 H    2.121400      4.3900002E-02  -2.212400    
 H    2.431900      -1.604300      -1.609400    
 H   -1.853600       1.025600      -1.205400    
 H   -1.157300      -2.964500      0.2180000    
 H    3.647400      -1.968200      0.2660000    
 H    2.921400       1.868700      -1.138300    
 H   -3.240200      -2.869500       1.540800    
 H   -4.642700     -0.8630000       1.515900    
 H    5.518400      -1.153700       1.746600    
 H    4.765400       2.822300      0.2923000    
 H    6.063600       1.273600       1.743000    


%chk=000076371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076371

1 1
O 1.297747 -2.649179 -0.718947
O -2.100059 2.981181 0.805015
O -0.127214 2.637202 -0.289675
N 2.603053 -0.598642 -0.340564
N -1.249594 2.223392 0.214451
C -0.892864 -1.429984 -0.696149
C 0.038365 -2.315845 -1.494848
C 2.480669 -1.961398 -1.070477
C -0.697003 -0.031607 -0.667328
C -1.966014 -1.989472 0.046936
C -1.538983 0.767535 0.128495
C 3.032393 0.516575 -1.018761
C 2.270558 -0.544602 0.991105
C -2.827927 -1.164646 0.806739
C -2.620281 0.230279 0.859182
C 3.130282 1.750688 -0.360715
C 2.363752 0.667435 1.689719
C 2.788274 1.833553 1.009508
H -0.406447 -3.303654 -1.689624
H 0.332532 -1.850764 -2.455940
H 2.570338 -1.735155 -2.150598
H 3.327540 -2.578070 -0.726960
H 0.085790 0.457080 -1.255125
H -2.132137 -3.072514 0.026504
H 3.280101 0.392141 -2.075882
H 1.917077 -1.477325 1.436712
H -3.659665 -1.609154 1.361006
H -3.264252 0.891031 1.446098
H 3.450630 2.631889 -0.920552
H 2.094821 0.692692 2.748238
H 2.843817 2.791537 1.533435


