%chk=000055453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055453

0 1
 O   0.3612000      -3.398100      0.4333000    
 O    5.396500       1.915400      0.3107000    
 O    5.819600      0.4295000      -1.401200    
 N    4.044100      -1.327900     -0.1576000    
 C    2.846400      -2.026900      0.3071000    
 C    1.594400      -1.498400     -0.3928000    
 C    3.932100      0.1067000      0.1027000    
 C   0.3373000      -2.228500      5.6899998E-02
 C  -0.9633000      -1.495800      3.7400000E-02
 C    5.237200      -1.873200      0.4889000    
 C   -3.360300     -0.1459000      2.6000000E-03
 C   -1.927500      -1.841600      0.9562000    
 C   -1.147300     -0.5035000     -0.8980000    
 C   -3.142800      -1.157200      0.9386000    
 C   -2.362600      0.1809000     -0.9155000    
 C    5.154500      0.8011000     -0.4439000    
 C   -4.621100      0.5639000     -1.4800000E-02
 C   -4.781600       1.718700      0.7511000    
 C   -5.675600      9.3999997E-02 -0.7976000    
 C    6.534100       2.690700     -8.1400000E-02
 C   -5.996800       2.403500      0.7342000    
 C   -6.890700      0.7788000     -0.8145000    
 C   -7.051200       1.933500     -4.8500001E-02
 C    6.663400       3.880200      0.8460000    
 H    2.728200      -1.938300       1.395700    
 H    2.943800      -3.097700      8.6499996E-02
 H    1.436600     -0.4459000     -0.1437000    
 H    1.682200      -1.605800      -1.479900    
 H    3.833300      0.3091000       1.176300    
 H    3.104000      0.5798000     -0.4317000    
 H    5.284100      -2.958600      0.3383000    
 H    5.240900      -1.688500       1.569800    
 H    6.170800      -1.486400      7.0799999E-02
 H   -1.769300      -2.622800       1.693300    
 H  -0.3945000     -0.2425000      -1.634600    
 H   -3.909600      -1.423500       1.662400    
 H   -2.517500      0.9641000      -1.654100    
 H   -3.969800       2.098800       1.366800    
 H   -5.567400     -0.8045000      -1.400600    
 H    6.401600       3.037700      -1.112200    
 H    7.436400       2.072300     -1.8500000E-02
 H   -6.121900       3.302600       1.330500    
 H   -7.711900      0.4131000      -1.423900    
 H   -7.997300       2.466600     -6.1600000E-02
 H    7.525200       4.496000      0.5743000    
 H    5.760600       4.498500      0.8078000    
 H    6.778300       3.549100       1.883500    


%chk=000055453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055453

0 1
O 0.441649 -2.818336 1.746946
O 5.758416 1.874920 0.137082
O 5.933932 0.226935 -1.502351
N 4.114963 -1.445736 0.059939
C 2.922275 -1.947820 0.789775
C 1.642488 -1.195200 0.381163
C 4.595042 -0.158081 0.576752
C 0.376849 -1.798092 0.995464
C -0.947754 -1.162158 0.686610
C 5.192629 -2.454621 -0.046044
C -3.527121 -0.022694 0.158423
C -2.119723 -1.703271 1.282542
C -1.084566 -0.043770 -0.179623
C -3.382053 -1.145380 1.024235
C -2.350912 0.513693 -0.437200
C 5.484418 0.611471 -0.402354
C -4.866344 0.570635 -0.113818
C -5.883871 0.565154 0.881091
C -5.164188 1.157460 -1.375525
C 6.648326 2.758193 -0.679052
C -7.152174 1.127093 0.624576
C -6.432552 1.718432 -1.633587
C -7.433738 1.706776 -0.634465
C 6.806634 4.061772 0.096522
H 3.046917 -1.910303 1.899156
H 2.792596 -3.014111 0.536429
H 1.695006 -0.124004 0.663863
H 1.564600 -1.210982 -0.724411
H 5.172307 -0.254819 1.534034
H 3.738558 0.498921 0.810943
H 4.788853 -3.372499 -0.506562
H 5.636966 -2.727213 0.944658
H 5.990144 -2.069140 -0.700951
H -2.007171 -2.572806 1.938705
H -0.202704 0.401015 -0.652476
H -4.272999 -1.600435 1.470458
H -2.428213 1.394634 -1.083829
H -5.670458 0.147625 1.871488
H -4.409707 1.144251 -2.170160
H 6.178061 2.905934 -1.668097
H 7.610102 2.235426 -0.831748
H -7.917488 1.120703 1.408622
H -6.643461 2.155313 -2.616016
H -8.418910 2.142231 -0.834390
H 7.459784 4.754419 -0.465090
H 5.829664 4.551724 0.248291
H 7.261725 3.879841 1.085084


