%chk=000048367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048367

0 1
 O   -1.381000     -0.7445000       1.251200    
 O   -3.908300      -1.291400      0.1235000    
 N  -0.4611000       1.225700      0.4312000    
 N   -2.526100      0.5372000     -0.3234000    
 N   -4.557600      0.3161000      -1.384600    
 C   0.7687000       1.191700       1.189000    
 C    1.861300      0.4629000      0.4527000    
 C    2.012000     -0.9050000      0.6329000    
 C    2.702600       1.169200     -0.3954000    
 C    3.024500      -1.580200     -4.8900001E-02
 C    3.715000      0.4940000      -1.077300    
 C    3.875900     -0.8807000     -0.9039000    
 C   -1.446700      0.2451000      0.5239000    
 C   -3.679100     -0.2400000     -0.4709000    
 H   0.5845000      0.7209000       2.162000    
 H    1.063100       2.228600       1.387400    
 H    1.357700      -1.460500       1.298400    
 H    2.584600       2.239500     -0.5387000    
 H  -0.6008000       1.993800     -0.2180000    
 H    3.150300      -2.650400      8.6599998E-02
 H    4.377800       1.038500      -1.743600    
 H    4.664200      -1.406300      -1.434700    
 H   -2.466200       1.386200     -0.8779000    
 H   -4.349200       1.185000      -1.864800    
 H   -5.441700     -0.1315000      -1.602000    


%chk=000048367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048367

0 1
O -1.544519 -0.147527 1.582679
O -3.476998 -1.626476 -0.247493
N -0.477075 1.282167 0.062247
N -2.678168 0.605138 -0.359489
N -4.879686 0.092733 -0.975052
C 0.757644 1.400006 0.861944
C 1.916107 0.576783 0.304341
C 1.779573 -0.827266 0.144533
C 3.139166 1.195524 -0.051749
C 2.849723 -1.594091 -0.364041
C 4.213442 0.427651 -0.559853
C 4.070164 -0.969266 -0.718286
C -1.550324 0.511144 0.511251
C -3.671268 -0.410623 -0.488284
H 0.489466 1.050007 1.875293
H 1.046213 2.465687 0.932032
H 0.837745 -1.311387 0.429258
H 3.254592 2.280231 0.071377
H -0.426987 1.538688 -0.925831
H 2.735601 -2.677783 -0.479395
H 5.155750 0.917234 -0.830851
H 4.900379 -1.566489 -1.111872
H -2.770447 1.443985 -0.936548
H -5.134624 1.076137 -0.902273
H -5.611069 -0.588305 -1.169238


