%chk=000043417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043417

0 1
 O    1.349600      0.7309000       1.806400    
 O  -0.1850000      -2.298700      0.8183000    
 O    5.713400      0.5279000     -0.2480000    
 O   -1.668000       2.246400       1.467000    
 O  -8.2599998E-02  -1.885700      -1.483300    
 O   -6.615800     -0.8663000      -1.653800    
 O    4.825400       1.568200      -2.147800    
 N   -2.808400      0.2337000       1.059700    
 C    1.948000      -1.051200      0.5537000    
 C   0.3121000     -0.1457000       1.783800    
 C   0.6262000      -1.253300       1.030700    
 C    2.347800      0.1819000       1.058400    
 C  -0.8851000      0.2521000       2.539400    
 C    2.849600      -1.772700     -0.2481000    
 C    3.595300      0.7564000      0.8214000    
 C    4.475900      2.1500001E-02  2.2100000E-02
 C    4.112000      -1.220400     -0.5047000    
 C   -1.837500       1.042000       1.639000    
 C   -3.843600      0.6275000      0.1784000    
 C  -0.4946000      -2.545400     -0.5383000    
 C   -4.723500     -0.3277000     -0.3023000    
 C   -3.953300       1.959200     -0.1856000    
 C   -5.742800      5.9999999E-02  -1.172200    
 C   -4.972300       2.347000      -1.055300    
 C   -5.867200       1.397400      -1.548500    
 C   -1.404500      -3.730600     -0.6701000    
 C    5.766300       1.319300      -1.405600    
 C    7.162400       1.826300      -1.614700    
 H  -0.6207000      0.8878000       3.392200    
 H   -1.394300     -0.6265000       2.951300    
 H    2.586900      -2.741700     -0.6616000    
 H    3.864900       1.720800       1.236300    
 H    4.814300      -1.775000      -1.122800    
 H   -2.788100     -0.7587000       1.284100    
 H   -4.629300      -1.371200     -1.2400000E-02
 H   -3.304300       2.752500      0.1543000    
 H   -5.070800       3.388200      -1.348800    
 H   -6.656900       1.712500      -2.225300    
 H   -2.345600      -3.530000     -0.1522000    
 H   -1.616900      -3.909800      -1.727800    
 H  -0.9174000      -4.616700     -0.2559000    
 H    7.465100       2.436700     -0.7603000    
 H    7.192200       2.446400      -2.515100    
 H    7.845000      0.9834000      -1.747700    
 H   -7.253400     -0.4236000      -2.239900    


%chk=000043417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043417

0 1
O 1.352695 0.838515 1.889993
O -0.658754 -1.793485 0.400198
O 5.488167 0.999417 -0.650899
O -2.639371 2.007668 2.708625
O 0.708726 -3.700240 0.283733
O -5.400576 -0.567999 -2.823123
O 6.243187 -0.220631 -2.525194
N -2.648352 0.383662 1.003286
C 1.692135 -0.701424 0.168665
C 0.216986 -0.009564 1.807247
C 0.400552 -0.931664 0.790368
C 2.244612 0.400831 0.885063
C -0.906946 0.264235 2.752903
C 2.451647 -1.271025 -0.880876
C 3.495177 0.960605 0.616040
C 4.221103 0.372269 -0.443014
C 3.716351 -0.732262 -1.190771
C -2.143977 0.989931 2.147383
C -3.783102 0.762514 0.230280
C -0.410710 -3.187206 0.146446
C -4.070598 -0.034979 -0.907191
C -4.611475 1.872252 0.553183
C -5.181652 0.273018 -1.715197
C -5.715834 2.158157 -0.276185
C -6.018835 1.373483 -1.410569
C -1.690369 -3.842543 -0.311065
C 6.412503 0.670656 -1.669985
C 7.615358 1.577664 -1.540050
H -0.545783 0.906474 3.571062
H -1.258123 -0.686568 3.199022
H 2.080205 -2.133135 -1.439743
H 3.901447 1.803866 1.177939
H 4.315047 -1.157189 -1.995922
H -2.140287 -0.443244 0.662520
H -3.438192 -0.886994 -1.180252
H -4.383160 2.481551 1.428105
H -6.355911 3.012799 -0.031448
H -6.883761 1.612473 -2.041986
H -1.959727 -3.482002 -1.320319
H -1.552635 -4.932534 -0.344941
H -2.524367 -3.588425 0.364485
H 7.310356 2.631609 -1.661736
H 8.357924 1.314773 -2.306716
H 8.060903 1.479505 -0.535271
H -6.192089 -0.269712 -3.335692


