%chk=000031329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031329

0 1
 O   -4.130600      0.1011000      0.9079000    
 N    3.090500      -1.300400      0.2219000    
 C   0.7974000      0.7507000      0.7309000    
 C    1.788100      0.5938000     -0.4162000    
 C    1.861600     -0.9541000     -0.4741000    
 C    1.506800      6.9999998E-04   1.960800    
 C   0.6226000       2.257400       1.035900    
 C    1.443100       1.403100      -1.680600    
 C  -0.5266000      3.8800001E-02  0.2289000    
 C   0.8348000      -1.468200      -1.461200    
 C    2.923500     -0.7155000       1.620200    
 C   0.2742000       3.089300     -0.2032000    
 C    1.284900       2.883500      -1.330400    
 C  -0.5068000     -0.9403000     -0.8533000    
 C   -1.759500      0.3500000      0.8154000    
 C    3.348900      -2.734700      0.2530000    
 C   -1.703600      -1.489900      -1.323900    
 C   -2.938500     -0.2248000      0.3323000    
 C   -2.912400      -1.126000     -0.7342000    
 C   -5.298600     -0.5145000      0.3698000    
 H    2.759300       1.019800     -0.1170000    
 H    1.289700      -1.450400      0.3267000    
 H   0.8270000     -0.7624000       2.363100    
 H    1.690300      0.7069000       2.779800    
 H    1.563800       2.650300       1.445100    
 H  -0.1295000       2.423700       1.814400    
 H   0.5195000       1.077400      -2.166800    
 H    2.243500       1.283900      -2.420300    
 H   0.8168000      -2.564900      -1.472900    
 H   0.9886000      -1.113700      -2.483800    
 H    3.710200      4.0600002E-02   1.737200    
 H    3.111900      -1.474100       2.390200    
 H   0.2471000       4.150700      6.9399998E-02
 H  -0.7298000       2.832300     -0.5599000    
 H   0.9674000       3.441400      -2.218600    
 H    2.256400       3.293700      -1.028100    
 H   -1.821200       1.044700       1.647700    
 H    4.295700      -2.936900      0.7652000    
 H    3.448400      -3.125300     -0.7656000    
 H    2.557000      -3.296100      0.7617000    
 H   -1.696500      -2.216200      -2.132100    
 H   -3.798300      -1.596800      -1.147200    
 H   -5.466000     -0.2213000     -0.6723000    
 H   -6.153100     -0.1429000      0.9451000    
 H   -5.277900      -1.602000      0.4988000    


%chk=000031329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031329

0 1
O -4.104285 0.108013 0.940367
N 3.166997 -1.349248 0.180893
C 0.811490 0.739946 0.746925
C 1.805171 0.591317 -0.419346
C 1.848337 -0.971028 -0.408773
C 1.593487 -0.016126 1.943709
C 0.544087 2.231686 1.078822
C 1.428926 1.391664 -1.685255
C -0.476367 -0.010692 0.197687
C 0.922619 -1.477933 -1.520074
C 3.042261 -0.613624 1.549143
C 0.180921 3.052820 -0.184766
C 1.246798 2.883835 -1.298222
C -0.432745 -0.936712 -0.936329
C -1.733870 0.279029 0.762228
C 3.297437 -2.816455 0.352437
C -1.644660 -1.462591 -1.423369
C -2.935653 -0.278217 0.256978
C -2.902637 -1.144785 -0.856414
C -5.374468 -0.426226 0.447810
H 2.797354 0.973637 -0.122025
H 1.186501 -1.311083 0.416763
H 0.953393 -0.801122 2.387745
H 1.793319 0.714639 2.753087
H 1.478889 2.645296 1.512185
H -0.235103 2.349499 1.856750
H 0.488740 1.032343 -2.141003
H 2.225359 1.287970 -2.447959
H 0.865662 -2.581596 -1.582557
H 1.135757 -1.086712 -2.531569
H 3.769876 0.217041 1.551683
H 3.348357 -1.317318 2.347879
H 0.080001 4.122462 0.084197
H -0.804319 2.724106 -0.569689
H 0.957086 3.472348 -2.190382
H 2.214864 3.296034 -0.943117
H -1.820266 0.963485 1.611971
H 4.221558 -3.046441 0.911191
H 3.377752 -3.288552 -0.643045
H 2.434479 -3.287697 0.890858
H -1.609904 -2.163596 -2.266868
H -3.814098 -1.582633 -1.273779
H -5.567643 -0.109086 -0.595987
H -6.142882 -0.003035 1.111678
H -5.398477 -1.532263 0.507242


