%chk=000050747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050747

0 1
 O   0.1036000     -0.4052000      1.8400000E-02
 O  -0.8512000      -2.433200     -0.5056000    
 N    3.785800     -0.5165000      0.1036000    
 N   -5.872800       1.437000      0.4177000    
 C    2.462700      0.1038000      0.1733000    
 C    2.346300       1.278300     -0.8166000    
 C    4.825100      0.4511000      0.4182000    
 C    1.404000     -0.9672000     -0.1096000    
 C    2.547100      0.8737000      -2.272100    
 C    6.185500     -0.2283000      0.3341000    
 C    4.578400       1.029400       1.805500    
 C  -0.9380000      -1.252100     -0.2075000    
 C   -2.234100     -0.5464000     -4.4599999E-02
 C   -3.333700      -1.261500      0.3839000    
 C   -2.298800      0.8032000     -0.3257000    
 C   -4.551100     -0.5982000      0.5381000    
 C   -3.516300       1.466400     -0.1715000    
 C   -4.642400      0.7657000      0.2604000    
 H    2.234300      0.4798000       1.177000    
 H    1.343600       1.717000     -0.7284000    
 H    3.021300       2.102000     -0.5640000    
 H    4.869000       1.261400     -0.3159000    
 H    3.830000      -1.301400      0.7534000    
 H    1.524800      -1.408100      -1.106100    
 H    1.501500      -1.776200      0.6267000    
 H    1.762800      0.1961000      -2.620500    
 H    3.519300      0.4007000      -2.437900    
 H    2.503800       1.764700      -2.908000    
 H    6.990200      0.4866000      0.5380000    
 H    6.274400      -1.045600       1.059000    
 H    6.357400     -0.6430000     -0.6657000    
 H    3.762600       1.758500       1.825400    
 H    5.468300       1.569700       2.150800    
 H    4.374400      0.2496000       2.548600    
 H   -3.274200      -2.322700      0.6067000    
 H   -1.440600       1.368400     -0.6761000    
 H   -5.421300      -1.155000      0.8764000    
 H   -3.575400       2.528900     -0.3936000    
 H   -5.939800       2.425400      0.2144000    
 H   -6.690300      0.9293000      0.7286000    


%chk=000050747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050747

0 1
O 0.069189 -0.288292 0.019197
O -0.839453 -2.432686 -0.126914
N 3.773303 -0.415982 0.191288
N -6.138523 1.320779 0.369522
C 2.440198 0.233570 0.117527
C 2.374800 1.300715 -1.008528
C 4.967574 0.435824 0.430805
C 1.418377 -0.897294 -0.089269
C 2.758367 0.787989 -2.413372
C 6.216176 -0.469763 0.402340
C 4.911129 1.265541 1.744403
C -1.010139 -1.189187 -0.018844
C -2.315956 -0.502954 0.084558
C -3.499436 -1.290831 0.062770
C -2.436663 0.908710 0.203962
C -4.764584 -0.695468 0.156462
C -3.697868 1.515581 0.298358
C -4.886404 0.723096 0.276311
H 2.159327 0.749876 1.069386
H 1.343511 1.701567 -1.019350
H 3.033918 2.147837 -0.732647
H 5.040079 1.143008 -0.418974
H 3.764756 -1.216453 0.840941
H 1.528324 -1.378432 -1.076163
H 1.516561 -1.681519 0.686515
H 2.024324 0.056042 -2.795935
H 3.743852 0.290862 -2.393687
H 2.798227 1.624091 -3.135488
H 7.139526 0.124641 0.523194
H 6.182262 -1.209519 1.227001
H 6.269675 -1.021830 -0.551926
H 4.013521 1.909975 1.779532
H 5.798702 1.919746 1.833469
H 4.888098 0.597058 2.626806
H -3.397510 -2.377440 -0.029394
H -1.529016 1.518712 0.221932
H -5.667914 -1.317121 0.138165
H -3.776918 2.605800 0.389297
H -6.231061 2.329212 0.452490
H -6.986130 0.760640 0.353060


