%chk=000083560.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083560

0 1
 O    2.186100      0.1015000      5.3900000E-02
 O   -1.191900      -2.656900      -1.060600    
 O    3.200400       2.170200      0.2227000    
 N  -0.4071000      -1.102800      0.5325000    
 C   0.6237000     -0.8735000       1.592200    
 C   -1.276900     -5.9000000E-02  0.2152000    
 C    1.492600      0.3295000       1.273800    
 C  -0.3930000      -2.357300     -0.1698000    
 C   -1.719300      0.1053000      -1.097500    
 C   -1.704700      0.8197000       1.210600    
 C   0.6859000      -3.357500      0.1770000    
 C   -2.589300       1.148400      -1.414900    
 C   -2.574800       1.862800      0.8930000    
 C   -3.017000       2.027000     -0.4197000    
 C    3.012300       1.110200     -0.3586000    
 C    3.672800      0.7324000      -1.649800    
 H    1.277200      -1.734700       1.723400    
 H   0.1113000     -0.7495000       2.552200    
 H    2.226800      0.4532000       2.079500    
 H   0.9198000       1.258800       1.201100    
 H   -1.371500     -0.5153000      -1.916600    
 H   -1.405900      0.7165000       2.248800    
 H   0.5838000      -3.685200       1.214800    
 H    1.676400      -2.935900     -1.2700000E-02
 H   0.5746000      -4.241000     -0.4605000    
 H   -2.923800       1.284800      -2.439100    
 H   -2.911900       2.544600       1.668300    
 H   -3.692900       2.840300     -0.6672000    
 H    2.914100      0.5684000      -2.419200    
 H    4.277500     -0.1666000      -1.507200    
 H    4.327900       1.546000      -1.974000    


%chk=000083560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083560

0 1
O 2.435171 -0.052227 0.031664
O -1.111940 -2.374388 -1.153040
O 3.478702 2.015595 -0.217374
N -0.385532 -0.935020 0.540639
C 0.615213 -0.556781 1.564287
C -1.450183 0.018321 0.285148
C 1.578313 0.540022 1.095488
C -0.278444 -2.107187 -0.238186
C -1.717202 0.470032 -1.031303
C -2.221398 0.518446 1.364270
C 0.873851 -3.060706 0.078783
C -2.741364 1.413958 -1.258282
C -3.238510 1.470240 1.131650
C -3.503258 1.922907 -0.180879
C 3.358960 0.821284 -0.566555
C 4.141066 0.105939 -1.645295
H 1.188851 -1.444277 1.869893
H 0.097994 -0.180070 2.465588
H 2.223642 0.882354 1.925922
H 1.042978 1.413758 0.684001
H -1.139546 0.067583 -1.866555
H -2.049017 0.148168 2.381337
H 0.789148 -3.485770 1.096474
H 1.852887 -2.559722 -0.012283
H 0.816795 -3.886071 -0.645960
H -2.942582 1.753434 -2.280335
H -3.829793 1.846493 1.973851
H -4.295293 2.657491 -0.362414
H 3.455255 -0.280172 -2.419230
H 4.677222 -0.759895 -1.219440
H 4.861214 0.800661 -2.100267


