%chk=000058945.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058945

0 1
 N   -2.941300     -4.8300002E-02 -0.1697000    
 N    3.247100      0.4490000     -0.1118000    
 C   -1.619000     -0.3889000      5.7000001E-03
 C  -0.9186000      0.7947000      0.2484000    
 C    1.109100     -0.5183000      0.4305000    
 C    2.582300     -0.5976000      0.6589000    
 C   0.4722000      0.7276000      0.4648000    
 C  -0.9957000      -1.641300     -3.1300001E-02
 C   0.3845000      -1.683200      0.1861000    
 C   -1.866300       1.855600      0.2123000    
 C   -3.100600       1.305800     -4.6700001E-02
 C   -4.018900     -0.9743000     -0.4451000    
 C    2.976500      0.2852000      -1.540600    
 C    4.688800      0.4340000      0.1383000    
 H    2.765200     -0.4583000       1.732000    
 H    2.970900      -1.588600      0.3891000    
 H    1.020900       1.642000      0.6725000    
 H   -1.554100      -2.551900     -0.2209000    
 H   0.8851000      -2.648500      0.1619000    
 H   -1.667700       2.908400      0.3599000    
 H   -4.071700       1.770600     -0.1521000    
 H   -4.083300      -1.684500      0.3832000    
 H   -4.960200     -0.4263000     -0.5366000    
 H   -3.798600      -1.490500      -1.383000    
 H    3.277800     -0.7039000      -1.906400    
 H    3.536900       1.033100      -2.115100    
 H    1.928800      0.4492000      -1.809600    
 H    4.895900      0.5891000       1.203000    
 H    5.181500       1.252400     -0.3983000    
 H    5.153300     -0.5100000     -0.1697000    


%chk=000058945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058945

0 1
N -3.075842 -0.055350 -0.097600
N 3.356140 0.410988 -0.175067
C -1.724069 -0.412334 0.012925
C -0.959214 0.800375 0.172012
C 1.075851 -0.549553 0.282268
C 2.584992 -0.668892 0.485223
C 0.449648 0.714173 0.310415
C -1.110814 -1.684296 -0.019676
C 0.291801 -1.732321 0.112780
C -1.904257 1.897990 0.152722
C -3.172965 1.344147 -0.010498
C -4.184661 -0.992857 -0.269632
C 3.298988 0.336103 -1.648326
C 4.739967 0.501325 0.326546
H 2.814220 -0.609516 1.569119
H 2.919524 -1.685879 0.149110
H 1.072014 1.608702 0.422750
H -1.692204 -2.603706 -0.149492
H 0.799825 -2.704540 0.083041
H -1.678477 2.958492 0.248433
H -4.144480 1.833276 -0.072488
H -4.249570 -1.693584 0.583918
H -5.131574 -0.433046 -0.331760
H -4.066951 -1.581947 -1.198521
H 3.790863 -0.583414 -2.058544
H 3.800971 1.218098 -2.085244
H 2.246702 0.338015 -1.978776
H 4.731918 0.649685 1.421660
H 5.245107 1.369976 -0.133334
H 5.357348 -0.407811 0.105735


