%chk=000127501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127501

0 1
 O   -1.803300     -0.5542000       1.554300    
 O   -4.973200       1.724900      0.2129000    
 O   0.6344000      -4.274900     -0.9287000    
 O   0.7710000      -1.179000      -1.443200    
 O    4.738000      -1.238700      0.8389000    
 N   -4.229400     -0.4433000      0.6901000    
 N   -1.188200      -2.301500      0.1434000    
 N    2.038600     -0.8675000      0.4757000    
 N    5.089800     -0.1302000      -1.142000    
 C   -3.426200      -1.449900      5.5700000E-02
 C   -3.423900      -1.042600      -1.405400    
 C   -3.628800      0.4718000      -1.375600    
 C   -2.069700      -1.374700      0.6801000    
 C   -4.380000      0.7002000     -8.6900003E-02
 C   0.1861000      -2.418300      0.5571000    
 C    2.939800      0.1224000     -6.6699997E-02
 C    1.017300      -1.441800     -0.2679000    
 C    2.910300       1.431500      0.7302000    
 C   0.6944000      -3.850800      0.4284000    
 C    1.724100       2.298600      0.3848000    
 C    4.336300     -0.4818000     -4.1800000E-02
 C    1.823100       3.239900     -0.6399000    
 C   0.5287000       2.158400       1.089900    
 C   0.7269000       4.041100     -0.9593000    
 C  -0.5675000       2.959600      0.7703000    
 C  -0.4683000       3.900900     -0.2543000    
 H   -3.866200      -2.437000      0.2253000    
 H   -2.524700      -1.318200      -1.963800    
 H   -4.281200      -1.504100      -1.912300    
 H   -2.673300       1.003100      -1.324900    
 H   -4.207600      0.8207000      -2.234100    
 H   -4.615700     -0.5347000       1.624700    
 H   0.2376000      -2.124900       1.613000    
 H   -1.506200      -2.903500     -0.6109000    
 H    2.666500      0.3160000      -1.111400    
 H    3.826000       2.008900      0.5432000    
 H    2.916100       1.228600       1.809800    
 H    2.191700      -1.174700       1.432100    
 H    1.731500      -3.938600      0.7687000    
 H   7.7900000E-02  -4.535900       1.019100    
 H    2.748100       3.356400      -1.198200    
 H   0.4389000       1.428900       1.890300    
 H    1.269800      -3.741600      -1.435400    
 H   0.8035000       4.773100      -1.757800    
 H   -1.499100       2.848700       1.317600    
 H    6.035800     -0.4784000      -1.256900    
 H    4.745100      0.4942000      -1.864100    
 H   -1.322500       4.523600     -0.5040000    


%chk=000127501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127501

0 1
O -0.814024 -1.027425 1.765380
O -4.129736 2.023822 1.209808
O 0.496520 -3.963002 -2.070006
O 2.376760 -2.007612 -1.374904
O 4.804713 0.538141 1.613840
N -3.449222 -0.229307 1.347932
N -0.778549 -2.374120 -0.117824
N 1.788203 -0.723775 0.483962
N 4.738205 -1.045171 -0.095055
C -2.929369 -1.307080 0.508677
C -3.330517 -0.849791 -0.941750
C -3.556091 0.677526 -0.828317
C -1.415526 -1.529607 0.755765
C -3.767483 0.943958 0.670678
C 0.596179 -2.852259 0.123904
C 2.747355 0.376899 0.219807
C 1.658202 -1.811979 -0.322095
C 2.301743 1.676696 0.928718
C 0.792503 -4.172042 -0.648979
C 1.184631 2.423779 0.212049
C 4.194165 -0.032280 0.663833
C 1.434332 3.045866 -1.040682
C -0.104988 2.553776 0.785627
C 0.424050 3.778788 -1.700394
C -1.120697 3.293299 0.133305
C -0.857385 3.907270 -1.112726
H -3.422244 -2.269965 0.752132
H -2.565623 -1.105665 -1.693498
H -4.267209 -1.356031 -1.229297
H -2.675414 1.263908 -1.148909
H -4.423787 1.036774 -1.404087
H -3.327905 -0.233440 2.361972
H 0.707910 -3.014739 1.213305
H -1.200424 -2.685645 -0.999853
H 2.773995 0.528589 -0.877193
H 3.200081 2.314467 1.011729
H 2.012641 1.442044 1.970018
H 1.115849 -0.633849 1.266598
H 1.823269 -4.545425 -0.498502
H 0.073410 -4.929879 -0.297155
H 2.433159 2.975486 -1.491862
H -0.318173 2.080108 1.752007
H 1.215359 -3.348982 -2.396836
H 0.638199 4.260578 -2.661378
H -2.108539 3.388066 0.598529
H 5.678097 -1.371954 0.130112
H 4.185047 -1.486333 -0.843523
H -1.639375 4.488218 -1.614762


