%chk=000051843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051843

0 1
 O  -0.3105000      0.6701000      0.5058000    
 O    3.067800       1.520800     -0.3545000    
 O    1.677300       2.298000       1.313200    
 N   -3.830900     -0.1605000     -0.2032000    
 C   -2.676500      0.3219000      0.5541000    
 C   -1.400900      0.1750000     -0.2601000    
 C   -4.936200     -0.4815000      0.6989000    
 C   -4.248300      0.8366000      -1.188500    
 C   0.9166000      0.5607000     -0.2026000    
 C    1.414000     -0.8596000     -9.1600001E-02
 C   -5.409700      0.7525000       1.447900    
 C   -5.408700      0.3275000      -2.026600    
 C    1.901100       1.570500      0.3540000    
 C    2.161000      -1.419900      -1.127900    
 C    1.127400      -1.612200       1.047400    
 C    2.621100      -2.732700      -1.025500    
 C    1.587700      -2.925000       1.149800    
 C    2.334600      -3.485200      0.1134000    
 C    4.097700       2.409700      8.9199997E-02
 C    5.315200       2.233300     -0.7930000    
 H   -2.780700       1.365700      0.8778000    
 H   -2.537400     -0.2650000       1.472600    
 H   -1.458200      0.7539000      -1.187500    
 H   -1.247800     -0.8791000     -0.5198000    
 H   -5.770300     -0.9597000      0.1747000    
 H   -4.604400      -1.235900       1.424200    
 H   -4.482700       1.818100     -0.7616000    
 H   -3.429800       1.012800      -1.895500    
 H   0.7507000      0.8386000      -1.252600    
 H   -6.181900      0.4476000       2.164900    
 H   -5.881700       1.498200      0.8024000    
 H   -4.626800       1.235400       2.039000    
 H   -5.546900      0.9804000      -2.895900    
 H   -6.356200      0.3304000      -1.479500    
 H   -5.221900     -0.6829000      -2.406600    
 H    2.390400     -0.8447000      -2.021000    
 H   0.5608000      -1.196900       1.876200    
 H    3.202600      -3.168900      -1.832400    
 H    1.367600      -3.510100       2.037900    
 H    2.693600      -4.507100      0.1937000    
 H    4.357000       2.178000       1.128200    
 H    3.740600       3.443600      2.5000000E-02
 H    5.672600       1.198900     -0.7538000    
 H    5.067200       2.444200      -1.838500    
 H    6.124600       2.898900     -0.4806000    


%chk=000051843-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051843

0 1
O -0.177150 0.693712 0.446276
O 3.025985 1.750558 -0.421887
O 2.247473 1.432586 1.755516
N -3.808701 0.114076 -0.228848
C -2.589163 0.568809 0.483625
C -1.327903 0.089287 -0.252271
C -4.886441 -0.386259 0.660500
C -4.241173 1.059101 -1.289026
C 1.107119 0.340372 -0.169322
C 1.467848 -1.136788 0.000033
C -5.597880 0.676137 1.543986
C -5.234776 0.441195 -2.289963
C 2.150421 1.224674 0.529293
C 1.893568 -1.906424 -1.108273
C 1.378087 -1.740423 1.280293
C 2.229670 -3.269792 -0.943030
C 1.710259 -3.102133 1.443888
C 2.138059 -3.869991 0.333740
C 4.158669 2.570219 0.114735
C 4.988571 3.013167 -1.085232
H -2.539325 1.676096 0.596741
H -2.577332 0.145048 1.504122
H -1.337689 0.418289 -1.314748
H -1.268017 -1.016345 -0.228974
H -5.638409 -0.905320 0.037302
H -4.440185 -1.161421 1.312236
H -4.677928 1.997681 -0.862037
H -3.333235 1.368368 -1.841050
H 1.107187 0.597981 -1.248957
H -6.352824 0.190944 2.190480
H -6.117749 1.434297 0.930475
H -4.877394 1.200887 2.198198
H -5.431971 1.148604 -3.116415
H -6.205293 0.203342 -1.818588
H -4.819901 -0.490505 -2.713898
H 1.963148 -1.440312 -2.099061
H 1.048672 -1.133051 2.130398
H 2.556525 -3.861217 -1.805669
H 1.639860 -3.565599 2.434452
H 2.396280 -4.927140 0.463411
H 4.731932 1.943995 0.822247
H 3.731795 3.421210 0.675451
H 5.384490 2.141698 -1.634067
H 4.383162 3.618629 -1.781180
H 5.842458 3.626156 -0.743403


