%chk=000088936.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088936

0 1
 O  -0.1481000      -2.048200      -1.891500    
 O    1.580900      -1.699400       2.540500    
 O   0.4941000      -2.810900      0.8821000    
 N    4.790000       1.289300      0.2190000    
 N   -5.117200       1.122100      0.5242000    
 C    1.137200     -0.4391000     -0.7828000    
 C    3.552500      0.7036000     -0.1205000    
 C    1.772000     -0.8555000      0.3649000    
 C   -1.445900     -0.4844000     -0.7335000    
 C  -0.1747000      -1.039800      -1.170600    
 C    2.995800     -0.2767000      0.7009000    
 C    1.661300      0.5264000      -1.613700    
 C   -3.884300      0.5822000      0.1027000    
 C    2.885300       1.105200      -1.277800    
 C   -1.469300      0.6500000      7.7699997E-02
 C   -2.641600      -1.085600      -1.126700    
 C   -2.688500       1.183300      0.4959000    
 C   -3.860800     -0.5522000     -0.7086000    
 C    5.684000       1.771200     -0.8082000    
 C    5.187100       1.425600       1.600900    
 C    1.215800      -1.877400       1.242400    
 C   -5.254800       2.538000      0.7747000    
 C   -6.270500      0.2722000      0.7080000    
 H    3.529300     -0.6095000       1.587300    
 H    1.145200      0.8443000      -2.514600    
 H    3.285600       1.874300      -1.932400    
 H  -0.5629000       1.147400      0.4092000    
 H   -2.650500      -1.968400      -1.760600    
 H   -2.672400       2.060400       1.136700    
 H   -4.774100      -1.036900      -1.042200    
 H    6.707700       1.872400     -0.4301000    
 H    5.368000       2.756000      -1.168000    
 H    5.731700       1.079400      -1.657000    
 H    4.347800       1.739200       2.232200    
 H    5.966900       2.186800       1.718100    
 H    5.589400      0.4823000       1.984900    
 H   -6.306400       2.846200      0.7570000    
 H   -4.742200       3.133300      1.0400000E-02
 H   -4.852900       2.799500       1.759300    
 H   -6.747200      5.0200000E-02 -0.2527000    
 H   -7.022500      0.7524000       1.344500    
 H   -6.001800     -0.6699000       1.199300    
 H    1.202900      -2.391400       3.124300    


%chk=000088936-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088936

0 1
O -0.192255 -1.666405 -2.515770
O 1.158514 -0.836609 2.738288
O -0.033385 -2.109636 1.212418
N 4.931798 1.245976 0.187362
N -5.179009 0.951678 0.688504
C 1.150189 -0.420726 -0.966015
C 3.709782 0.687975 -0.192766
C 1.591688 -0.460846 0.391999
C -1.445887 -0.418640 -0.880412
C -0.181175 -0.911603 -1.487046
C 2.840775 0.086580 0.767150
C 2.042324 0.131650 -1.919558
C -3.959940 0.508281 0.172990
C 3.284975 0.676923 -1.560720
C -1.509403 0.711169 -0.020258
C -2.667257 -1.067077 -1.213628
C -2.731308 1.173104 0.493626
C -3.893555 -0.628221 -0.702055
C 5.839409 1.788555 -0.831675
C 5.338114 1.236709 1.598757
C 0.813974 -1.211191 1.419400
C -5.220223 2.110197 1.590266
C -6.427563 0.267383 0.324885
H 3.133448 0.007263 1.815381
H 1.733150 0.130320 -2.969912
H 3.923163 1.095868 -2.343481
H -0.591093 1.254064 0.231071
H -2.621067 -1.931877 -1.884031
H -2.733326 2.055695 1.139070
H -4.805052 -1.167732 -0.973839
H 6.750042 2.170097 -0.344033
H 5.376246 2.627680 -1.389464
H 6.144735 1.016512 -1.567278
H 4.588417 1.741372 2.239930
H 6.292925 1.774594 1.708089
H 5.479190 0.206358 1.986173
H -6.258337 2.287490 1.912297
H -4.853979 3.032766 1.095024
H -4.605760 1.943942 2.497978
H -6.609478 0.298108 -0.768364
H -7.275084 0.763230 0.823616
H -6.420408 -0.795591 0.639949
H 0.633587 -1.407487 3.361679


