%chk=000052155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052155

1 1
 O   -2.004000      0.9502000     -0.8933000    
 O    3.288000      -2.614400      0.8941000    
 O    4.722800       1.113200     -6.6999998E-03
 O    5.266900      -1.109600     -0.2552000    
 N   -4.569800      0.2985000      7.1400002E-02
 N   -1.156300      -1.039700      2.5200000E-02
 C   -4.193700       1.093300       1.313700    
 C   -5.924200     -0.3625000      0.2827000    
 C   -3.517600     -0.7709000     -0.1842000    
 C   -4.643500       1.234300      -1.126600    
 C   -5.242900       2.154700       1.562700    
 C   -6.292400      -1.150900     -0.9551000    
 C   -2.150000     -0.1637000     -0.4011000    
 C   0.2440000     -0.8383000     -1.0500000E-02
 C    1.083800      -1.832800      0.4623000    
 C   0.7444000      0.3494000     -0.5172000    
 C    2.463900      -1.634000      0.4274000    
 C    2.124600      0.5483000     -0.5520000    
 C    2.984300     -0.4433000     -7.9700001E-02
 C    4.421900     -0.2155000     -0.1249000    
 C    6.109900       1.466200     -3.8400002E-02
 C    6.240100       2.967500      0.1054000    
 H   -4.126800      0.3961000       2.156500    
 H   -3.218300       1.565000       1.165300    
 H   -5.862200      -1.005100       1.167800    
 H   -6.684900      0.4064000      0.4394000    
 H   -3.528200      -1.452100      0.6740000    
 H   -3.762000      -1.319900      -1.098000    
 H   -3.961700       2.079700     -0.9987000    
 H   -4.404800      0.6857000      -2.043500    
 H   -5.659400       1.636700      -1.207300    
 H   -6.188600       1.741500       1.923900    
 H   -5.439100       2.808100      0.7095000    
 H   -4.887300       2.807900       2.369100    
 H   -5.691400      -2.056500      -1.075800    
 H   -6.264900     -0.5762000      -1.883700    
 H   -7.325900      -1.502300     -0.8462000    
 H   -1.449900      -1.937000      0.4053000    
 H   0.6821000      -2.761900      0.8585000    
 H   0.1458000       1.161200     -0.9028000    
 H    2.499900       1.480800     -0.9658000    
 H    4.214100      -2.326500      0.8648000    
 H    6.545000       1.144900     -0.9911000    
 H    6.630900      0.9672000      0.7861000    
 H    7.289900       3.272800      8.4799998E-02
 H    5.706800       3.479500     -0.7024000    
 H    5.791900       3.304800       1.045800    


%chk=000052155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052155

1 1
O -2.037234 1.325294 -0.406273
O 3.240321 -2.639847 0.680373
O 5.034910 1.127297 -0.089797
O 5.305845 -1.122667 0.432527
N -4.754458 0.325660 -0.017380
N -1.147348 -0.800003 0.067669
C -4.549274 1.116646 1.316942
C -6.045614 -0.535702 0.107079
C -3.559964 -0.616666 -0.225854
C -4.883637 1.293558 -1.199537
C -5.708944 2.031257 1.724420
C -6.331032 -1.483132 -1.063728
C -2.172167 0.083493 -0.182939
C 0.267827 -0.554204 0.077090
C 1.084011 -1.668662 0.364219
C 0.831194 0.727101 -0.185597
C 2.490489 -1.527099 0.395993
C 2.228242 0.858551 -0.154245
C 3.076564 -0.240408 0.131668
C 4.547014 -0.125825 0.172782
C 6.533584 1.292123 -0.060587
C 6.819406 2.751602 -0.386541
H -4.366011 0.346549 2.088276
H -3.628214 1.700148 1.168723
H -5.945227 -1.094469 1.054792
H -6.869888 0.185934 0.219143
H -3.636269 -1.403451 0.546228
H -3.688626 -1.085871 -1.216050
H -3.999717 1.945694 -1.204494
H -4.923761 0.715228 -2.134067
H -5.810677 1.872490 -1.083090
H -6.639338 1.491922 1.965044
H -5.922758 2.812438 0.976147
H -5.398460 2.556350 2.645252
H -5.587390 -2.290017 -1.170847
H -6.436166 -0.958265 -2.027711
H -7.300546 -1.972553 -0.862859
H -1.400227 -1.774440 0.260419
H 0.668784 -2.662405 0.567426
H 0.190118 1.580467 -0.403136
H 2.689973 1.829937 -0.352487
H 4.230294 -2.367580 0.662103
H 6.961863 0.592981 -0.799981
H 6.883337 0.997887 0.944443
H 7.911182 2.920616 -0.379339
H 6.436671 3.019014 -1.385790
H 6.362520 3.423829 0.359071


