%chk=000127820.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127820

1 1
 O    3.256100      0.6214000      2.7200000E-02
 N   -4.615100      0.5682000      3.3000000E-02
 C   0.9944000       1.419300     -1.5400000E-02
 C  -0.4699000       1.197200     -2.7999999E-03
 C    1.859800      0.3769000     -1.8700000E-02
 C    1.479100      -1.044700     -3.1199999E-02
 C   -3.220800      0.7797000      2.1100000E-02
 C    1.517700       2.777100     -1.8000000E-03
 C   -1.165100       1.110800      -1.204600    
 C   -1.139100       1.076500       1.211000    
 C   -2.544200      0.9017000      -1.192700    
 C   -2.518200      0.8672000       1.223000    
 C    3.678200       1.846900      4.6500001E-02
 C    2.824300       3.043000      2.7899999E-02
 C    1.305200      -1.707900      -1.245000    
 C    1.292000      -1.725900       1.170800    
 C   0.7560000      -3.737700     -5.5000000E-02
 C   0.9434000      -3.054900      -1.257000    
 C   0.9303000      -3.073100       1.158900    
 C    5.166900       2.023000      9.3999997E-02
 C   -5.454500       1.085200      -1.024800    
 C   -5.245400     -0.1719000       1.103500    
 C   0.3686000      -5.177800     -6.8099998E-02
 H   0.8064000       3.597800     -1.5000000E-02
 H  -0.6504000       1.201300      -2.157900    
 H  -0.6048000       1.145400       2.155300    
 H   -3.060200      0.8267000      -2.145700    
 H   -3.017100      0.7880000       2.184800    
 H    3.236900       4.041300      4.0199999E-02
 H    1.447900      -1.188900      -2.189700    
 H    1.424600      -1.221000       2.124600    
 H   0.8086000      -3.561200      -2.209200    
 H   0.7853000      -3.593300       2.102000    
 H    5.550000       1.529900      0.9915000    
 H    5.452700       3.077100      0.1061000    
 H    5.606000       1.534900     -0.7803000    
 H   -5.412200      0.4361000      -1.905800    
 H   -5.156000       2.099200      -1.314300    
 H   -6.502600       1.145800     -0.7101000    
 H   -6.233400     -0.5416000      0.8064000    
 H   -5.382600      0.4627000       1.985400    
 H   -4.654700      -1.051000       1.385200    
 H  -0.7218000      -5.273200     -7.8400001E-02
 H   0.7741000      -5.688000     -0.9485000    
 H   0.7584000      -5.700000      0.8123000    


%chk=000127820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127820

1 1
O 3.095879 0.623325 -0.251001
N -4.895617 0.899775 0.301142
C 0.836948 1.299974 0.337443
C -0.627124 1.125821 0.357479
C 1.757944 0.274594 -0.061937
C 1.543300 -1.155523 -0.271262
C -3.513692 0.971749 0.321625
C 1.407228 2.561894 0.683925
C -1.320091 0.426802 -0.676464
C -1.417990 1.749669 1.367959
C -2.715884 0.354147 -0.704246
C -2.814878 1.668370 1.367333
C 3.634733 1.869759 0.019807
C 2.785057 2.842931 0.549076
C 2.410092 -1.890838 -1.136897
C 0.536907 -1.866774 0.452315
C 1.255873 -3.992100 -0.572233
C 2.256468 -3.277309 -1.289505
C 0.411814 -3.257373 0.307466
C 5.089260 1.973608 -0.300165
C -5.587564 0.166783 -0.775458
C -5.692722 1.574271 1.342888
C 1.083734 -5.483370 -0.752857
H 0.733812 3.359349 1.011628
H -0.756779 -0.039399 -1.491670
H -0.928363 2.272811 2.198569
H -3.196457 -0.165666 -1.536512
H -3.369222 2.138518 2.182926
H 3.190179 3.823810 0.804881
H 3.192965 -1.365185 -1.691499
H -0.122109 -1.335529 1.143530
H 2.920516 -3.821472 -1.969997
H -0.348878 -3.788887 0.889718
H 5.669139 1.199156 0.233698
H 5.474861 2.963839 -0.014008
H 5.270214 1.828695 -1.381438
H -5.271807 -0.893417 -0.810813
H -5.398383 0.622201 -1.767146
H -6.671997 0.189324 -0.593684
H -6.762706 1.427760 1.135109
H -5.496392 2.663495 1.362223
H -5.482066 1.161849 2.348721
H 0.361776 -5.695861 -1.565928
H 2.033059 -5.973991 -1.026693
H 0.693765 -5.963383 0.160648


