%chk=000126555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126555

0 1
 O    4.009900     -0.7522000      -1.344700    
 O   -2.569700      -1.187700     -0.6303000    
 O   -3.525200      0.5967000      0.4932000    
 N   0.1616000       2.508900     -8.9599997E-02
 C    1.317200      0.3594000     -0.3815000    
 C  -3.5799999E-02 -0.3597000     -9.7999997E-02
 C   0.2037000      -1.163300       1.189400    
 C    2.295900     -0.5580000      0.3016000    
 C    1.392300       1.791600      0.1798000    
 C   -1.215800      0.5669000     -3.8800001E-02
 C    1.681800      -1.381800       1.161000    
 C   -1.062400       1.896000     -6.9100000E-02
 C    3.754700     -0.4858000      2.6500000E-02
 C   -2.572400      2.1800000E-02 -1.2900000E-02
 C   -3.835900      -1.852900     -0.6866000    
 H    1.480600      0.3807000      -1.466600    
 H  -0.1795000      -1.071800     -0.9253000    
 H  -0.3386000      -2.113900       1.163400    
 H  -8.2400002E-02 -0.6176000       2.095200    
 H    1.559000       1.782700       1.264400    
 H    2.236200       2.328200     -0.2682000    
 H    2.186300      -2.107600       1.782700    
 H   0.1733000       3.523300     -8.5600004E-02
 H   -1.887200       2.598300     -7.9800002E-02
 H    4.308000      -1.217100      0.6252000    
 H    4.137900      0.5111000      0.2668000    
 H    4.970900     -0.6822000      -1.475600    
 H   -3.696700      -2.805400      -1.204800    
 H   -4.556000      -1.249300      -1.247200    
 H   -4.203100      -2.053100      0.3245000    


%chk=000126555-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126555

0 1
O 4.057000 -0.428987 -1.439524
O -2.622095 -1.329303 -0.321330
O -3.639306 0.776863 -0.271092
N 0.207289 2.544955 -0.024579
C 1.351283 0.359555 -0.379567
C -0.015137 -0.369845 -0.144511
C 0.222706 -1.245698 1.134669
C 2.354516 -0.601720 0.258016
C 1.392982 1.746841 0.327834
C -1.203094 0.572739 -0.136760
C 1.726392 -1.473028 1.094477
C -1.024380 1.945511 -0.138506
C 3.833285 -0.485921 0.024370
C -2.579395 0.087337 -0.244076
C -3.976639 -1.901146 -0.453362
H 1.548019 0.511632 -1.455080
H -0.147151 -1.083387 -0.980690
H -0.367635 -2.177548 1.104586
H -0.076592 -0.705834 2.056968
H 1.427809 1.586843 1.427156
H 2.300689 2.304697 0.035100
H 2.233484 -2.242898 1.688010
H 0.278214 3.560306 -0.052540
H -1.894622 2.602759 -0.242157
H 4.358802 -1.352703 0.476548
H 4.228682 0.443814 0.495525
H 5.022749 -0.291308 -1.613542
H -3.821488 -2.989244 -0.500670
H -4.466739 -1.531861 -1.370785
H -4.601026 -1.627222 0.414612


