%chk=000041425.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041425

0 1
 O   -4.421000      0.3389000      0.5236000    
 N    3.801300      0.2720000     -0.4165000    
 N   -1.835200       1.783400     -4.8799999E-02
 C    4.690100      8.7300003E-02  0.7217000    
 C    6.168900     -9.1300003E-02  0.5079000    
 C    5.334700      -1.249300      0.9719000    
 C    2.417700      0.4176000      2.3000000E-02
 C    1.458000      0.6620000      -1.157400    
 C   5.7900000E-02  0.8410000     -0.7231000    
 C  -0.9183000     -0.1828000     -0.5690000    
 C   -2.096800      0.4353000     -0.1451000    
 C  -0.5355000       2.038300     -0.3961000    
 C  -0.9126000      -1.580100     -0.7498000    
 C   -3.274400     -0.2771000      0.1078000    
 C   -2.083200      -2.305600     -0.5008000    
 C   -3.244800      -1.662100     -7.8500003E-02
 C   -4.606900      0.4725000       1.929400    
 H    4.437400      0.6796000       1.598400    
 H    6.841800      0.3640000       1.224400    
 H    6.548000     -0.1194000     -0.5064000    
 H    5.154500      -2.053100      0.2684000    
 H    5.443500      -1.570800       2.000500    
 H    4.072900       1.102700     -0.9419000    
 H    2.105000     -0.4874000      0.5597000    
 H    2.333300       1.256200      0.7268000    
 H    1.527700     -0.1743000      -1.864700    
 H    1.783500       1.553100      -1.710800    
 H  -0.1517000       3.048900     -0.3785000    
 H   -2.506100       2.482900      0.2374000    
 H  -1.5600000E-02  -2.097900      -1.077000    
 H   -2.084500      -3.383600     -0.6384000    
 H   -4.139800      -2.251400      0.1072000    
 H   -4.649100     -0.5119000       2.406200    
 H   -5.556700      0.9858000       2.102900    
 H   -3.801700       1.068900       2.369900    


%chk=000041425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041425

0 1
O -4.230401 0.639243 0.881278
N 3.945480 0.462855 -0.486670
N -1.857195 2.026778 -0.076886
C 4.941267 0.092057 0.501650
C 6.166447 -0.691844 0.019856
C 5.079168 -1.398993 0.846648
C 2.578884 0.677924 0.036145
C 1.595036 0.980106 -1.123361
C 0.164786 1.124964 -0.665766
C -0.718214 0.048520 -0.238789
C -1.967926 0.651503 0.120200
C -0.568222 2.308870 -0.553167
C -0.581112 -1.366083 -0.135299
C -3.073602 -0.105266 0.574511
C -1.680394 -2.115333 0.316791
C -2.922482 -1.502094 0.673633
C -5.398288 -0.112005 1.344629
H 5.111124 0.790203 1.342079
H 7.132316 -0.487721 0.491210
H 6.207867 -0.926574 -1.047364
H 4.416133 -2.083552 0.310496
H 5.304305 -1.676000 1.880544
H 4.259185 1.239228 -1.085168
H 2.265285 -0.243944 0.560865
H 2.519042 1.505713 0.784876
H 1.688175 0.162157 -1.864126
H 1.920774 1.908529 -1.635335
H -0.265122 3.329426 -0.781268
H -2.605259 2.694167 0.094668
H 0.356701 -1.861755 -0.407469
H -1.596316 -3.204683 0.401677
H -3.747672 -2.131972 1.019498
H -5.737716 -0.834921 0.577508
H -6.180220 0.642065 1.518332
H -5.179533 -0.649269 2.287875


