%chk=000113056.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113056

0 1
 O    2.366000       1.681600     -0.3844000    
 O    3.971100     -0.6084000     -0.2965000    
 O  -4.4399999E-02   1.490800      0.9952000    
 O    4.607700      -2.812200       1.305500    
 O   -5.714700     -0.4474000     -0.8673000    
 O   -4.834300      -2.364700     -0.2605000    
 N   -4.759900      -1.121200     -0.4104000    
 C    3.782500       1.773700     -0.4423000    
 C    1.794100       2.828000      0.2338000    
 C    4.334200      0.5169000      -1.087400    
 C   0.2859000       2.672100      0.2663000    
 C   -1.196100      0.8524000      0.6513000    
 C    4.444600      -1.820300     -0.8671000    
 C   -2.271200       1.580300      0.1412000    
 C   -1.301800     -0.5294000      0.8097000    
 C    4.028100      -2.979600      1.7400000E-02
 C   -3.557600     -0.4556000     -5.2099999E-02
 C   -3.451900      0.9262000     -0.2104000    
 C   -2.482500      -1.183400      0.4580000    
 H    4.175600       1.868000      0.5767000    
 H    4.075100       2.652600      -1.027100    
 H    2.177800       2.905500       1.257700    
 H    2.066100       3.730700     -0.3243000    
 H    5.425100      0.5833000      -1.161600    
 H    3.907700      0.3990000      -2.090400    
 H  -5.9599999E-02   2.600900     -0.7732000    
 H  -0.1699000       3.541200      0.7528000    
 H    5.538000      -1.778700     -0.9326000    
 H    4.025000      -1.949700      -1.870800    
 H   -2.239900       2.660000      2.8000001E-02
 H  -0.4669000      -1.101000       1.206000    
 H    4.367800      -3.930700     -0.4029000    
 H    2.940600      -3.000400      0.1399000    
 H   -4.271200       1.525800     -0.5991000    
 H   -2.528800      -2.260700      0.5948000    
 H    4.322200      -3.568000       1.846600    


%chk=000113056-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113056

0 1
O 2.539974 1.627080 -0.454307
O 4.401632 -0.763333 -0.326059
O -0.199340 1.166768 0.692278
O 5.421271 -3.045035 0.985620
O -6.295300 -0.050523 -0.808825
O -5.818540 -1.795377 0.584973
N -5.488774 -0.711526 -0.041096
C 3.962515 1.607904 -0.097180
C 1.766460 2.539213 0.385525
C 4.652093 0.543387 -0.937341
C 0.300318 2.382153 0.017679
C -1.509898 0.771206 0.455983
C 4.918027 -1.882857 -1.131565
C -2.424521 1.470525 -0.379451
C -1.912531 -0.418247 1.124102
C 4.692478 -3.135281 -0.283038
C -4.118066 -0.201752 0.130460
C -3.732433 0.979026 -0.540382
C -3.214900 -0.907343 0.964322
H 4.093491 1.372125 0.980796
H 4.418099 2.603432 -0.300745
H 1.909359 2.309427 1.463189
H 2.079067 3.593302 0.204693
H 5.746962 0.739532 -0.974433
H 4.251121 0.575002 -1.972786
H 0.200740 2.276121 -1.079850
H -0.284602 3.257588 0.364826
H 6.002924 -1.739319 -1.328437
H 4.375073 -1.947316 -2.099502
H -2.129742 2.385454 -0.899741
H -1.183282 -0.933922 1.754959
H 5.087316 -4.026723 -0.798276
H 3.604695 -3.269083 -0.108260
H -4.459625 1.492339 -1.175096
H -3.549212 -1.819266 1.465300
H 5.181652 -2.167082 1.382167


