%chk=000096647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096647

0 1
 O   0.7946000     -0.7210000     -3.6200002E-02
 O  -0.4465000       1.241900     -0.2722000    
 O    4.328600       1.431600      2.8000001E-02
 O    3.186700     -0.6165000       1.521400    
 O    1.916900       2.617000      -1.041600    
 O   0.6540000      -3.457300     -0.2177000    
 O   -3.037900      0.2396000       2.715200    
 O   -1.128700       1.131400       2.099800    
 N   -2.213500      0.5641000       1.828200    
 C    3.250400      0.6781000     -0.5196000    
 C    3.219300     -0.7210000      9.6500002E-02
 C    1.938400       1.419600     -0.2647000    
 C    1.968400      -1.468600     -0.3780000    
 C   0.7410000      0.5568000     -0.6692000    
 C    1.835600      -2.843900      0.2657000    
 C   -1.633000      0.6210000     -0.5501000    
 C   -2.518400      0.2788000      0.4689000    
 C   -1.944900      0.3359000      -1.877300    
 C   -3.723000     -0.3526000      0.1591000    
 C   -3.149500     -0.2954000      -2.187100    
 C   -4.038600     -0.6396000      -1.169000    
 H    3.431000      0.6008000      -1.599200    
 H    4.132300      -1.268100     -0.1610000    
 H    1.868100       1.725200      0.7862000    
 H    1.982900      -1.590300      -1.469100    
 H   0.7418000      0.4304000      -1.759700    
 H    1.747300      -2.780600       1.354900    
 H    2.688200      -3.482600      1.7300000E-02
 H    4.300300       2.316300     -0.3750000    
 H    2.316800     -0.2702000       1.782500    
 H    1.062600       3.052900     -0.8803000    
 H  -9.1799997E-02  -2.872400      1.0000000E-03
 H   -1.277400      0.6140000      -2.687600    
 H   -4.441700     -0.6363000      0.9237000    
 H   -3.397600     -0.5146000      -3.221600    
 H   -4.977000      -1.130000      -1.411000    


%chk=000096647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096647

0 1
O 1.115035 -1.314084 -0.059365
O -0.548696 0.263005 0.532658
O 4.076616 1.686252 0.347781
O 3.698128 -1.085734 1.283165
O 1.316060 2.434551 0.042747
O 1.552091 -3.794222 -1.288480
O -3.576408 2.617392 1.811081
O -1.434372 2.797658 1.082739
N -2.584272 2.202396 1.101313
C 3.075907 0.823657 -0.253646
C 3.496600 -0.659313 -0.102402
C 1.686755 1.063764 0.366488
C 2.415328 -1.534232 -0.786426
C 0.671639 0.074497 -0.228643
C 2.669284 -3.042942 -0.710149
C -1.777927 0.124659 -0.113946
C -2.819516 1.029592 0.229380
C -2.050137 -0.926994 -1.018917
C -4.126380 0.856637 -0.282412
C -3.343594 -1.072320 -1.561184
C -4.386857 -0.190324 -1.186031
H 2.986829 1.039263 -1.345321
H 4.480643 -0.805004 -0.580323
H 1.722263 0.909232 1.465535
H 2.275232 -1.232286 -1.846615
H 0.489327 0.287378 -1.306272
H 2.865499 -3.337521 0.339134
H 3.549390 -3.301993 -1.321511
H 3.700847 2.605838 0.355521
H 2.813245 -1.108591 1.733979
H 0.429579 2.642502 0.452233
H 0.745319 -3.569603 -0.757232
H -1.253834 -1.637943 -1.260712
H -4.908256 1.556202 0.025762
H -3.543041 -1.889275 -2.262258
H -5.392629 -0.317696 -1.596470


