%chk=000046451.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046451

0 1
 O   -1.069300      -1.722700     -0.4043000    
 O   -3.244600     -0.1750000      0.2373000    
 N    1.901600      -1.591000      0.6262000    
 C    1.584500     -0.7114000     -0.5052000    
 C    2.817400      0.1057000     -0.9248000    
 C    3.079100       1.262300      3.3900000E-02
 C   0.3973000      0.1718000     -0.1737000    
 C    1.894800       2.225600      4.0899999E-02
 C   0.5534000       1.540000      0.1221000    
 C  -0.8877000     -0.3967000     -0.1285000    
 C  -0.5773000       2.310100      0.4382000    
 C   -2.000400      0.3785000      0.1959000    
 C   -1.845300       1.731600      0.4789000    
 C    3.032400      -2.444500      0.3059000    
 C   -1.634900      -2.523700      0.6289000    
 C   -4.001000     -0.1604000     -0.9716000    
 H    1.305000      -1.332000      -1.368000    
 H    2.618800      0.5325000      -1.919200    
 H    3.723500     -0.4895000      -1.065400    
 H    3.983900       1.802500     -0.2675000    
 H    3.261800      0.8821000       1.045900    
 H    1.912100       2.821600     -0.8805000    
 H    2.011100       2.918600      0.8828000    
 H    2.117100      -1.042700       1.457900    
 H  -0.4736000       3.371500      0.6516000    
 H   -2.706900       2.344600      0.7291000    
 H    3.051700      -3.273100       1.022300    
 H    3.993100      -1.931600      0.4111000    
 H    2.954100      -2.893900     -0.6899000    
 H   -2.704300      -2.666400      0.4501000    
 H   -1.467600      -2.100800       1.625800    
 H   -1.154500      -3.506100      0.5932000    
 H   -3.476900     -0.7064000      -1.762300    
 H   -4.194000      0.8690000      -1.290100    
 H   -4.958500     -0.6533000     -0.7823000    


%chk=000046451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046451

0 1
O -1.122759 -1.588306 -0.585352
O -3.366713 0.017123 0.240763
N 1.817154 -1.504819 0.650938
C 1.553495 -0.614891 -0.520964
C 2.787828 0.209566 -0.984897
C 3.106229 1.336614 0.020775
C 0.377800 0.302020 -0.178919
C 1.933821 2.338898 0.083538
C 0.562453 1.670302 0.165477
C -0.933111 -0.247217 -0.172130
C -0.562753 2.441005 0.555720
C -2.055121 0.546832 0.185383
C -1.859505 1.891493 0.568292
C 2.722491 -2.642663 0.405760
C -1.376019 -2.529591 0.533562
C -3.909071 -0.454911 -1.053577
H 1.236361 -1.289977 -1.338084
H 2.580763 0.652152 -1.980476
H 3.658169 -0.463227 -1.107224
H 4.037371 1.862365 -0.261955
H 3.284036 0.897033 1.024197
H 1.959588 2.967899 -0.831567
H 2.061864 3.034390 0.935465
H 2.071765 -0.961391 1.486754
H -0.419335 3.490495 0.840818
H -2.732672 2.482515 0.862586
H 2.797989 -3.254848 1.322606
H 3.759012 -2.371376 0.092698
H 2.292752 -3.281116 -0.388699
H -2.270244 -2.216742 1.104429
H -0.477843 -2.559992 1.176476
H -1.548907 -3.509547 0.060980
H -3.256469 -1.229673 -1.492746
H -4.012221 0.395277 -1.755614
H -4.902298 -0.868892 -0.820314


