%chk=000056351.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056351

0 1
 O  -0.4248000       1.617900       1.062500    
 O   -2.226000      -2.449400     -0.1656000    
 N   -1.650600     -0.2609000      0.4235000    
 C   0.6900000     -0.3861000      0.2243000    
 C    1.794100     -0.3277000       1.295900    
 C    1.107400      7.4100003E-02  -1.189000    
 C   7.1500003E-02  -1.800900      0.1779000    
 C    2.781200      0.8349000       1.175900    
 C    2.480400     -0.4149000      -1.649000    
 C  -0.5025000      0.4699000      0.6449000    
 C    3.950600      0.5275000      0.2426000    
 C    3.610200      0.5283000      -1.243000    
 C   -1.411500      -1.575500      9.5100001E-02
 C   -2.985600      0.2830000      0.5818000    
 C   -3.458600      0.8053000     -0.7340000    
 C   -3.825600       2.074600     -0.9440000    
 H    2.358600      -1.269500       1.302400    
 H    1.320200     -0.2631000       2.285300    
 H    1.066500       1.169200      -1.262600    
 H   0.3597000     -0.2799000      -1.912700    
 H   0.2663000      -2.368800       1.095000    
 H   0.4134000      -2.386600     -0.6805000    
 H    3.202900       1.014200       2.173500    
 H    2.280300       1.763700      0.8828000    
 H    2.469800     -0.4550000      -2.745800    
 H    2.679700      -1.435700      -1.304200    
 H    4.397200     -0.4372000      0.5137000    
 H    4.731600       1.280200      0.4091000    
 H    3.369200       1.550500      -1.560400    
 H    4.513700      0.2440000      -1.796900    
 H   -3.660600     -0.5115000      0.9179000    
 H   -2.965500       1.068800       1.344800    
 H   -3.523800      0.1047000      -1.562900    
 H   -4.169500       2.392100      -1.922300    
 H   -3.789200       2.814400     -0.1520000    


%chk=000056351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056351

0 1
O -0.432536 1.745044 0.821102
O -2.396116 -2.423526 0.002104
N -1.683293 -0.221229 0.458113
C 0.698807 -0.396720 0.137560
C 1.791512 -0.367307 1.253894
C 1.213980 0.096139 -1.256066
C 0.035470 -1.804622 0.042969
C 2.796235 0.812168 1.225531
C 2.620178 -0.412212 -1.669268
C -0.482360 0.527060 0.520053
C 4.031151 0.538896 0.329172
C 3.767925 0.516743 -1.195569
C -1.474377 -1.582256 0.140097
C -3.024522 0.367032 0.672469
C -3.695538 0.748483 -0.635715
C -4.025958 2.018943 -0.970727
H 2.366753 -1.313137 1.188931
H 1.273557 -0.394288 2.233560
H 1.228019 1.203014 -1.254032
H 0.463786 -0.201007 -2.016291
H 0.335846 -2.463269 0.879285
H 0.276218 -2.340185 -0.891145
H 3.157430 0.979777 2.259277
H 2.282539 1.744896 0.926186
H 2.658629 -0.466615 -2.775056
H 2.787871 -1.446983 -1.305723
H 4.472052 -0.433160 0.636113
H 4.803764 1.307005 0.534807
H 3.537718 1.546212 -1.539805
H 4.706316 0.220524 -1.706712
H -3.628505 -0.391734 1.203668
H -2.890711 1.252676 1.316618
H -3.922726 -0.085438 -1.314340
H -4.526469 2.249078 -1.917985
H -3.801943 2.864599 -0.309074


