%chk=000044203.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044203

0 1
 O   -2.220900      0.8370000     -0.1987000    
 N  -0.9938000       1.509400     -0.1708000    
 N   -5.645300       2.019600     -0.8132000    
 C    2.019400     -0.5584000      -1.686200    
 C   0.9576000      -1.625500      -1.567400    
 C    2.415500      -2.001400      -1.507300    
 C    2.332500      0.4324000     -0.5932000    
 C   9.6000001E-02  -1.813000     -0.3437000    
 C    1.353400       1.039200      0.2114000    
 C  -0.4296000     -0.7491000      0.4090000    
 C  -6.7100003E-02  0.6487000      0.1066000    
 C    3.663800      0.8437000     -0.3893000    
 C  -0.2791000      -3.112300      4.8900001E-02
 C    1.680000       2.013800       1.165400    
 C   -1.297300     -0.9644000       1.489000    
 C    4.000100       1.807600      0.5649000    
 C   -1.133700      -3.337700       1.131300    
 C    3.006500       2.394800       1.340100    
 C   -1.645800      -2.262400       1.848700    
 C   -3.231700       1.786300     -0.5032000    
 C   -4.580600       1.091600     -0.5421000    
 H    2.147400     -0.1605000      -2.692500    
 H   0.4523000      -1.863700      -2.502800    
 H    2.838000      -2.517100      -2.362100    
 H    2.834300      -2.312600     -0.5571000    
 H    4.458100      0.4111000     -0.9951000    
 H   9.3599997E-02  -3.970100     -0.5081000    
 H   0.9107000       2.469500       1.783600    
 H   -1.677700     -0.1382000       2.085000    
 H    5.037400       2.102100      0.6953000    
 H   -1.402400      -4.353200       1.407100    
 H    3.265000       3.145500       2.080700    
 H   -2.308000      -2.435300       2.691700    
 H   -3.230700       2.570300      0.2646000    
 H   -3.013000       2.247800      -1.474300    
 H   -4.564800      0.3002000      -1.300600    
 H   -4.760400      0.5885000      0.4150000    
 H   -6.530400       1.519500     -0.8829000    
 H   -5.498600       2.467800      -1.716600    


%chk=000044203-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044203

0 1
O -2.425146 0.889925 -0.161423
N -1.057751 1.407925 -0.160685
N -5.697591 2.488788 -0.926559
C 2.090087 -0.656687 -1.633762
C 1.088779 -1.808537 -1.503229
C 2.602020 -2.103635 -1.491347
C 2.322730 0.377130 -0.566558
C 0.237221 -2.038055 -0.285495
C 1.251381 0.973878 0.158143
C -0.428910 -0.974888 0.387963
C -0.157337 0.464240 0.062187
C 3.639404 0.863373 -0.366568
C 0.014840 -3.371528 0.143917
C 1.518976 2.060466 1.032805
C -1.311054 -1.274724 1.461715
C 3.901767 1.933121 0.514989
C -0.851320 -3.661265 1.217625
C 2.831905 2.543638 1.210084
C -1.520737 -2.604253 1.878254
C -3.333221 2.014871 -0.483819
C -4.746000 1.418593 -0.573869
H 2.167485 -0.240335 -2.647040
H 0.575462 -2.069562 -2.438196
H 3.047570 -2.588265 -2.365289
H 3.045518 -2.380627 -0.529640
H 4.460637 0.397826 -0.924656
H 0.533109 -4.183779 -0.379550
H 0.683051 2.513513 1.575030
H -1.827684 -0.454419 1.968032
H 4.927755 2.291334 0.655532
H -1.005597 -4.698091 1.536876
H 3.020568 3.380675 1.891276
H -2.198654 -2.815461 2.712607
H -3.283053 2.785105 0.306279
H -3.023137 2.467257 -1.446141
H -4.727824 0.560445 -1.284126
H -5.025236 1.012832 0.415329
H -6.664045 2.320909 -0.640900
H -5.625269 2.829767 -1.888691


