%chk=000035686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035686

0 1
 O    1.787300      0.7663000       1.829500    
 O   -6.372000       2.292700     -0.2985000    
 O   -6.899900      0.4932000      -1.566300    
 N    2.864200     -0.4489000      0.1015000    
 N    2.635500      -1.608600     -0.6074000    
 N  -0.3520000     -0.7925000      0.4630000    
 N   -1.305500      -1.095900       1.217300    
 C   0.9127000      -1.322500      0.9408000    
 C    1.538000      -2.123200     -0.1504000    
 C    1.878200     -0.1803000       1.065700    
 C    3.979500      0.3198000     -0.1905000    
 C   0.9479000      -3.397400     -0.6477000    
 C    4.221100       1.508800      0.5077000    
 C    4.876500     -8.4600002E-02  -1.186100    
 C    5.343800       2.282700      0.2142000    
 C    5.999400      0.6893000      -1.479300    
 C   -2.505800     -0.5627000      0.7183000    
 C    6.233000       1.872900     -0.7791000    
 C   -3.279200      -1.310000     -0.1650000    
 C   -2.913700      0.7086000       1.111300    
 C   -4.884500      0.4924000     -0.2695000    
 C   -4.471300     -0.7811000     -0.6602000    
 C   -4.105800       1.237400      0.6162000    
 C   -6.127500       1.043600     -0.7854000    
 H   0.8660000      -1.899000       1.870300    
 H   0.8134000      -4.086000      0.1904000    
 H    1.605900      -3.857500      -1.389400    
 H  -2.3600001E-02  -3.196500      -1.106400    
 H    3.580800       1.892500       1.290000    
 H    4.730900      -1.000000      -1.753800    
 H    5.527000       3.204500      0.7587000    
 H    6.692200      0.3707000      -2.252600    
 H    7.107300       2.475400      -1.007600    
 H   -2.964700      -2.303400     -0.4739000    
 H   -2.312800       1.294900       1.801500    
 H   -5.064200      -1.376900      -1.349100    
 H   -4.388600       2.232600      0.9474000    
 H   -7.210900       2.662300     -0.6477000    


%chk=000035686-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035686

0 1
O 1.742543 0.522507 1.843911
O -6.712754 1.927227 -1.140884
O -7.631792 0.593410 0.523982
N 2.999487 -0.391710 0.020080
N 2.822396 -1.421925 -0.967025
N -0.392985 -0.775886 0.005572
N -1.357011 -1.128902 0.804590
C 0.898869 -1.377831 0.415119
C 1.643484 -1.977121 -0.769662
C 1.895919 -0.274508 0.887625
C 4.221253 0.353088 0.010897
C 1.114406 -3.067132 -1.645770
C 4.435026 1.398091 0.948451
C 5.218218 0.034175 -0.947449
C 5.650348 2.114370 0.915145
C 6.424681 0.763159 -0.963042
C -2.637279 -0.547030 0.488133
C 6.650556 1.805981 -0.034537
C -3.715668 -1.015168 1.282104
C -2.855932 0.436929 -0.516601
C -5.235781 0.459615 0.063003
C -5.013070 -0.516656 1.068217
C -4.151321 0.935479 -0.725584
C -6.623902 0.962410 -0.125687
H 0.751398 -2.107770 1.238623
H 0.890817 -3.977849 -1.058752
H 1.844751 -3.318962 -2.430835
H 0.168165 -2.749656 -2.122952
H 3.665312 1.639013 1.684328
H 5.034975 -0.771485 -1.661361
H 5.811441 2.919986 1.639939
H 7.190815 0.513487 -1.705397
H 7.590199 2.368352 -0.051808
H -3.508709 -1.762606 2.054207
H -2.005408 0.792307 -1.105472
H -5.862457 -0.862643 1.665195
H -4.343864 1.694085 -1.488893
H -7.658526 2.224769 -1.219509


