%chk=000063451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063451

0 1
 O    1.474100       2.500400      0.4525000    
 N   0.1851000      0.5462000      0.1876000    
 N    1.309500      -1.535200     -0.1469000    
 N   -1.631400      -1.849100      -1.149300    
 C   -1.044700       1.295800      0.1800000    
 C   0.2149000     -0.8529000       0.000000    
 C    2.627700      0.4997000      0.1718000    
 C    1.381800       1.283700      0.3071000    
 C    2.537300     -0.8696000     -7.8100003E-02
 C   -1.584500       1.753600      -1.016100    
 C   -1.680200       1.551400       1.389500    
 C   -1.040600      -1.640700      4.3900002E-02
 C    3.875900       1.127600      0.2623000    
 C   -2.776800       2.477400      -1.002700    
 C    3.715700      -1.609100     -0.2357000    
 C  -0.9171000       1.488100      -2.326600    
 C   -2.872500       2.275100       1.402900    
 C   -3.420800       2.738200      0.2068000    
 C    5.041600      0.3793000      0.1040000    
 C    4.962200     -0.9882000     -0.1462000    
 C   -1.523000      -2.100900       1.252700    
 C   -2.705200      -2.832900       1.236700    
 C   -2.778300      -2.564300      -1.125400    
 C   -3.350900      -3.073500      2.8999999E-02
 H   -1.260900       1.195600       2.326800    
 H    3.960800       2.194100      0.4521000    
 H   -3.218500       2.845000      -1.925100    
 H    3.668700      -2.678800     -0.4258000    
 H  -0.8598000      0.4151000      -2.528700    
 H   -1.464600       1.943800      -3.159000    
 H   9.2200004E-02   1.912100      -2.337500    
 H   -3.373900       2.478000       2.344600    
 H   -4.349400       3.301500      0.2175000    
 H    6.011400      0.8633000      0.1738000    
 H    5.869600      -1.572000     -0.2697000    
 H   -1.009000      -1.905200       2.187400    
 H   -3.122600      -3.214600       2.163500    
 H   -3.243100      -2.723400      -2.092800    
 H   -4.273700      -3.641100     -7.4000000E-03


%chk=000063451-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063451

0 1
O 1.375568 2.528478 -0.479550
N 0.180835 0.538763 -0.073793
N 1.314012 -1.550849 0.363458
N -2.027785 -1.273332 -0.775445
C -1.057174 1.317945 0.008211
C 0.202582 -0.851961 0.158740
C 2.636362 0.502245 -0.034222
C 1.404620 1.290312 -0.230030
C 2.547673 -0.887789 0.293499
C -1.634003 1.893713 -1.152826
C -1.612225 1.513258 1.290289
C -1.077334 -1.628421 0.142940
C 3.903796 1.132635 -0.130315
C -2.803587 2.671532 -0.975664
C 3.741108 -1.627148 0.526971
C -1.047492 1.652984 -2.524642
C -2.785367 2.284100 1.440780
C -3.380018 2.867626 0.300385
C 5.074695 0.391491 0.101041
C 4.989548 -0.991292 0.432506
C -1.226664 -2.735287 1.016098
C -2.421174 -3.483362 0.962150
C -3.169936 -2.013356 -0.822812
C -3.417955 -3.115239 0.028534
H -1.120692 1.068966 2.163034
H 3.934218 2.198210 -0.379814
H -3.270442 3.126345 -1.857311
H 3.650910 -2.690137 0.769878
H -0.990394 0.566929 -2.724707
H -1.666175 2.120530 -3.309190
H -0.027432 2.071558 -2.595111
H -3.218892 2.435244 2.435087
H -4.285885 3.475732 0.402691
H 6.054322 0.875321 0.027401
H 5.906532 -1.563503 0.611444
H -0.411666 -2.988174 1.698735
H -2.571229 -4.336780 1.631447
H -3.906361 -1.706369 -1.573908
H -4.359897 -3.667419 -0.046479


