%chk=000051605.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051605

0 1
 O    1.756500      -2.322400     -6.2100001E-02
 O   -3.375800     -0.7335000       1.169100    
 O    4.661700       1.280200      0.5660000    
 O    4.177400       1.089900      -1.671000    
 N    4.147500     -0.7457000     -0.2524000    
 C    2.272000      -1.905500      -1.319700    
 C    3.778800      -1.752100      -1.221100    
 C   0.4806000      -1.927000      0.2443000    
 C   -2.108200      -1.124600      0.8647000    
 C   0.1235000      -1.721900       1.572200    
 C  -0.4437000      -1.735100     -0.7763000    
 C   -1.175200      -1.319300       1.883400    
 C   -1.742400      -1.332500     -0.4650000    
 C   -3.938100      0.2767000      0.4068000    
 C    4.315300      0.5881000     -0.5601000    
 C   -3.185500       1.400100      0.1162000    
 C   -5.238300      0.1361000     -4.3699998E-02
 C    4.869500       2.686700      0.3953000    
 C   -3.752300       2.417900     -0.6509000    
 C   -5.805000       1.153900     -0.8109000    
 C   -5.061900       2.294800      -1.114500    
 C    5.243700       3.295500       1.729900    
 H    2.031300      -2.664000      -2.073200    
 H    1.855200     -0.9388000      -1.631800    
 H    4.235600      -2.688600     -0.8846000    
 H    4.198500      -1.485500      -2.196500    
 H   0.8473000      -1.871800       2.368100    
 H  -0.2095000      -1.919500      -1.820300    
 H   -1.454400      -1.158700       2.921100    
 H   -2.456600      -1.217700      -1.276100    
 H    4.282700      -1.034200      0.7118000    
 H   -2.172400       1.530700      0.4853000    
 H   -5.817600     -0.7514000      0.1917000    
 H    3.948500       3.148900      2.2800000E-02
 H    5.677500       2.851200     -0.3262000    
 H   -3.175800       3.308700     -0.8827000    
 H   -6.824800       1.058200      -1.171800    
 H   -5.503700       3.087800      -1.710700    
 H    5.410100       4.372200       1.635800    
 H    4.452900       3.123000       2.467400    
 H    6.153100       2.830200       2.124300    


%chk=000051605-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051605

0 1
O 1.682431 -1.423920 0.156882
O -3.912092 -1.060784 0.740173
O 5.684102 1.316594 0.677129
O 5.965794 0.440729 -1.497506
N 4.379392 -0.420883 0.010729
C 2.347184 -1.250697 -1.148223
C 3.842235 -1.443358 -0.887544
C 0.282393 -1.286323 0.206748
C -2.508312 -1.055329 0.524168
C -0.305979 -1.488758 1.479825
C -0.531447 -0.975174 -0.910508
C -1.698531 -1.370660 1.639148
C -1.931097 -0.864706 -0.749276
C -4.746099 -0.086336 0.136423
C 5.387174 0.433969 -0.377880
C -4.308495 1.220081 -0.186359
C -6.093084 -0.469749 -0.052666
C 6.772745 2.293667 0.394844
C -5.239715 2.143051 -0.713661
C -7.011068 0.464861 -0.577536
C -6.590063 1.773575 -0.914547
C 6.906990 3.167088 1.638564
H 1.977216 -2.012829 -1.864328
H 2.144150 -0.236216 -1.545395
H 4.004232 -2.452645 -0.462719
H 4.399497 -1.373138 -1.837886
H 0.340207 -1.735495 2.327484
H -0.099830 -0.826153 -1.904342
H -2.171606 -1.525627 2.613076
H -2.564841 -0.641504 -1.613252
H 3.970821 -0.310905 0.939513
H -3.268168 1.514873 -0.017725
H -6.397048 -1.485817 0.216315
H 6.499865 2.877978 -0.502724
H 7.699393 1.734187 0.171345
H -4.905821 3.157193 -0.960368
H -8.055606 0.168876 -0.724868
H -7.304628 2.495469 -1.323641
H 7.706785 3.914765 1.486397
H 5.965031 3.703008 1.846598
H 7.163890 2.558040 2.522193


