%chk=000045600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045600

0 1
 O    3.032700       2.767000      0.2682000    
 N   -5.412600      0.8626000     -0.5614000    
 N    1.950200      -2.584900     -0.2522000    
 C   -3.435200     -0.2316000     -4.4199999E-02
 C   -3.503200       1.000900      0.8553000    
 C   -2.021800     -0.6053000     -0.4565000    
 C   -4.325700      0.1412000      -1.219000    
 C   -4.770500       1.732200      0.4239000    
 C   -1.159400     -0.9573000      0.7568000    
 C   0.2358000      -1.359700      0.3527000    
 C    1.332300     -0.4916000      0.2093000    
 C   0.6204000      -2.632400      7.0000000E-02
 C    2.411400      -1.290100     -0.1756000    
 C    1.535000      0.8943000      0.3631000    
 C  -0.1175000      -3.910400      6.5600000E-02
 C    3.688400     -0.7700000     -0.4149000    
 C    2.806900       1.428500      0.1269000    
 C    3.865500      0.6074000     -0.2560000    
 C   0.4301000       1.818900      0.7735000    
 C    2.837200       3.580300     -0.8855000    
 H   -3.889900      -1.079000      0.4892000    
 H   -2.640300       1.661300      0.7246000    
 H   -3.550400      0.7081000       1.909900    
 H   -1.563900      0.2096000      -1.029500    
 H   -2.064600      -1.464000      -1.139300    
 H   -3.815500      0.7953000      -1.935900    
 H   -4.693500     -0.7383000      -1.756200    
 H   -5.435500       1.932000       1.270000    
 H   -4.519200       2.694000     -3.6899999E-02
 H   -1.626000      -1.799400       1.286500    
 H   -1.135800     -0.1520000       1.491400    
 H   -5.995700      0.1873000     -6.4999998E-02
 H    2.516200      -3.382000     -0.5092000    
 H   0.4799000      -4.725800     -0.3556000    
 H  -0.3989000      -4.191800       1.085400    
 H   -1.031700      -3.827000     -0.5309000    
 H    4.513100      -1.408600     -0.7129000    
 H    4.849000       1.035900     -0.4355000    
 H   5.5300001E-02   1.545900       1.763900    
 H   0.7412000       2.864000      0.8580000    
 H  -0.3774000       1.797200      3.9299998E-02
 H    1.841800       3.428900      -1.315100    
 H    3.603200       3.360100      -1.635800    
 H    2.932700       4.627800     -0.5866000    


%chk=000045600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045600

0 1
O 2.866966 3.002470 -0.115747
N -5.838191 0.543299 -0.532415
N 1.964198 -2.495977 -0.359664
C -3.663907 -0.375184 0.083324
C -3.846565 0.956552 0.882105
C -2.219252 -0.660614 -0.377363
C -4.680807 -0.209243 -1.089006
C -5.236789 1.532398 0.417285
C -1.227117 -0.913549 0.794104
C 0.178592 -1.249694 0.341692
C 1.294273 -0.345033 0.058574
C 0.629039 -2.550917 0.073906
C 2.397712 -1.165891 -0.377046
C 1.465790 1.071154 0.140431
C -0.082254 -3.871101 0.176325
C 3.650099 -0.633789 -0.731071
C 2.738126 1.592018 -0.218944
C 3.814796 0.762297 -0.649417
C 0.366335 2.012429 0.596278
C 4.142328 3.598239 -0.498121
H -4.008483 -1.221294 0.716446
H -3.033597 1.664946 0.632054
H -3.811915 0.787615 1.972797
H -1.854343 0.189045 -0.990577
H -2.209065 -1.547538 -1.044162
H -4.216271 0.389358 -1.898898
H -5.011449 -1.168742 -1.524156
H -5.927872 1.720367 1.258062
H -5.088284 2.492601 -0.111259
H -1.628850 -1.744067 1.410291
H -1.217900 -0.027809 1.453248
H -6.477990 -0.095872 -0.037442
H 2.531251 -3.303873 -0.606120
H -0.265893 -4.321582 -0.819168
H 0.496539 -4.604931 0.770595
H -1.061700 -3.745772 0.665735
H 4.476572 -1.273380 -1.059781
H 4.779893 1.200618 -0.917965
H 0.152407 1.889696 1.675683
H 0.664637 3.058439 0.431647
H -0.575455 1.826346 0.049329
H 4.387215 3.396841 -1.560394
H 4.971357 3.237525 0.143408
H 4.009924 4.681102 -0.350801


