%chk=000047836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047836

0 1
 O    10.44910      -2.217800      0.1428000    
 N   -2.935700      0.4086000      -1.328100    
 N   -6.025800      -1.147200       1.015300    
 N    12.03180     -0.6295000      0.6527000    
 C    4.849700       1.412300      9.8800004E-02
 C    5.885700      0.2853000      4.3900002E-02
 C    3.426300      0.9434000     -0.2218000    
 C    7.311300      0.7565000      0.3403000    
 C    2.387300       2.065200     -0.1024000    
 C    8.305300     -0.4039000      0.2614000    
 C   0.9810000       1.627400     -0.4262000    
 C    9.733300      6.8099998E-02  0.5249000    
 C   0.1532000       1.137100      0.5837000    
 C   0.5081000       1.712800      -1.735800    
 C   -3.977300     -0.1159000     -0.5383000    
 C   -1.620500      0.8177000      -1.025300    
 C   -4.088900      -1.499500     -0.3678000    
 C   -4.891000      0.7516000      6.8899997E-02
 C   -1.147600      0.7323000      0.2842000    
 C  -0.7927000       1.308000      -2.035300    
 C   -5.143100      -1.978300      0.4283000    
 C   -5.913800      0.1847000      0.8479000    
 C    10.74310      -1.057300      0.4145000    
 C   -3.184800      -2.394500     -0.9661000    
 C   -4.802700       2.146200     -8.5199997E-02
 C   -5.259500      -3.354900      0.6018000    
 C   -6.826600       1.043100       1.455000    
 C   -3.323100      -3.766300     -0.7770000    
 C   -5.727800       2.982400      0.5324000    
 C   -4.362700      -4.247100      8.7000001E-03
 C   -6.741800       2.429500       1.304000    
 H    5.135400       2.201200     -0.6079000    
 H    4.864600       1.862000       1.099300    
 H    5.605000     -0.4945000      0.7627000    
 H    5.857400     -0.1763000     -0.9511000    
 H    3.155000      0.1236000      0.4555000    
 H    3.403900      0.5277000      -1.237200    
 H    7.348600       1.208000       1.338900    
 H    7.594600       1.534900     -0.3783000    
 H    2.665800       2.896200     -0.7636000    
 H    2.409400       2.481000      0.9135000    
 H    8.031200      -1.177500      0.9895000    
 H    8.249000     -0.8699000     -0.7304000    
 H    9.806300      0.4987000       1.530500    
 H    10.01040      0.8463000     -0.1963000    
 H   0.5113000       1.064100       1.607200    
 H    1.144400       2.091200      -2.531400    
 H   -3.191400      0.5061000      -2.306600    
 H   -1.771100      0.3538000       1.089700    
 H   -1.148400       1.379400      -3.059900    
 H   -2.363300      -2.052800      -1.590500    
 H   -4.025300       2.611700     -0.6855000    
 H   -6.065800      -3.756500       1.213000    
 H   -7.630300      0.6341000       2.064700    
 H   -2.624300      -4.455400      -1.241000    
 H   -5.658100       4.059000      0.4109000    
 H   -4.479800      -5.315800      0.1625000    
 H   -7.469200       3.073100       1.790000    
 H    12.81230      -1.276500      0.6123000    
 H    12.25050      0.3364000      0.8754000    


%chk=000047836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047836

0 1
O 10.877194 -1.567177 -0.214095
N -2.855645 -0.179394 -1.430212
N -6.161213 -1.071867 1.186190
N 11.980648 -0.448390 1.488393
C 4.887097 1.609195 -0.153183
C 5.952275 0.506275 0.038362
C 3.466210 1.044133 -0.371628
C 7.379134 1.061967 0.248220
C 2.392851 2.153504 -0.556004
C 8.434636 -0.051089 0.423539
C 0.997013 1.590167 -0.773477
C 9.858508 0.505846 0.646163
C 0.197825 1.167552 0.320985
C 0.465359 1.417488 -2.076857
C -3.907908 -0.448523 -0.530735
C -1.597660 0.434611 -1.175838
C -4.520859 -1.747881 -0.563619
C -4.443304 0.545066 0.356451
C -1.074297 0.591437 0.135791
C -0.812074 0.857300 -2.281717
C -5.670840 -1.994202 0.298884
C -5.556189 0.158758 1.220916
C 10.927123 -0.595278 0.596142
C -4.040113 -2.824936 -1.387834
C -3.992577 1.911020 0.392629
C -6.321219 -3.277180 0.242297
C -6.093225 1.129301 2.139540
C -4.689614 -4.058010 -1.410608
C -4.554446 2.828280 1.277342
C -5.852300 -4.282010 -0.598295
C -5.602305 2.430000 2.175637
H 5.167233 2.244148 -1.020005
H 4.885045 2.277732 0.733614
H 5.673332 -0.125319 0.907411
H 5.949070 -0.164567 -0.845523
H 3.182114 0.406123 0.489756
H 3.460141 0.383082 -1.261764
H 7.384548 1.730010 1.135484
H 7.656028 1.695807 -0.620630
H 2.683591 2.788723 -1.415974
H 2.405729 2.805926 0.340111
H 8.155421 -0.699697 1.277934
H 8.456366 -0.703892 -0.469049
H 9.914888 1.067953 1.599121
H 10.093129 1.225831 -0.164899
H 0.582368 1.283815 1.342090
H 1.055239 1.735941 -2.945237
H -2.924807 -0.650758 -2.334407
H -1.656499 0.258371 1.000238
H -1.210033 0.755865 -3.299320
H -3.126757 -2.695616 -1.980263
H -3.202300 2.234859 -0.289286
H -7.189683 -3.420273 0.892508
H -6.910785 0.796479 2.786305
H -4.302781 -4.869005 -2.037282
H -4.200636 3.865025 1.283884
H -6.355540 -5.254579 -0.630978
H -6.024108 3.160692 2.874659
H 12.734019 -1.136019 1.469983
H 12.023483 0.320681 2.154243


