%chk=000030308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030308

0 1
 O  -0.1693000     -8.2999997E-02 -0.7599000    
 O   -4.803000      -2.086100     -0.5167000    
 N    3.273900     -3.3399999E-02  0.5543000    
 C    3.758800       1.145400     -0.1625000    
 C    4.317300      -1.055900      0.6216000    
 C    2.075700     -0.5677000     -9.1799997E-02
 C    4.105100      0.7827000      -1.603900    
 C    4.970900       1.719100      0.5646000    
 C    4.690400      -1.524200     -0.7821000    
 C    3.831600      -2.221600       1.477200    
 C   0.9665000      0.4719000     -0.1094000    
 C   -1.397700      0.3572000     -0.3409000    
 C   -2.495900     -0.4915000     -0.4190000    
 C   -1.533000       1.648100      0.1571000    
 C   -3.746400     -4.3099999E-02  6.3000000E-03
 C   -2.783400       2.096400      0.5823000    
 C   -3.890300       1.250800      0.5070000    
 C   -4.900600     -0.9246000     -7.3200002E-02
 C   -6.270600     -0.4404000      0.3890000    
 H    3.019500       1.951100     -0.1398000    
 H    5.210900     -0.6916000       1.138400    
 H    1.666400      -1.398200      0.4964000    
 H    2.169700     -0.9767000      -1.099000    
 H    3.950000       1.727500      -2.154800    
 H    5.165400      0.6292000      -1.814500    
 H    3.438900      0.1311000      -2.168300    
 H    4.785600       1.822100       1.640000    
 H    5.182000       2.725300      0.1819000    
 H    5.890200       1.143000      0.4183000    
 H    5.081900      -2.548900     -0.6593000    
 H    3.915300      -1.703400      -1.525000    
 H    5.585200      -1.043200      -1.179600    
 H    3.391500      -1.875000       2.419200    
 H    4.679800      -2.864800       1.742400    
 H    3.108300      -2.864600      0.9649000    
 H    1.229700       1.358800     -0.6905000    
 H   0.7487000      0.7578000      0.9285000    
 H   -2.362900      -1.496000     -0.8124000    
 H  -0.7050000       2.348600      0.2043000    
 H   -2.896800       3.106400      0.9655000    
 H   -4.844700       1.640500      0.8470000    
 H   -6.592000      0.4145000     -0.2116000    
 H   -6.244100     -0.1900000       1.452600    
 H   -7.000100      -1.244700      0.2494000    


%chk=000030308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030308

0 1
O -0.283161 -0.349683 -0.349949
O -5.029791 -1.412592 -1.582950
N 3.426636 -0.029953 -0.059258
C 3.939428 1.153159 -0.805419
C 4.401483 -1.013238 0.485743
C 2.123856 -0.544648 -0.516200
C 4.748770 0.813920 -2.091389
C 4.741813 2.107456 0.110648
C 4.716034 -2.222219 -0.446153
C 3.945693 -1.517313 1.877541
C 0.977003 0.161900 0.227484
C -1.491463 0.135368 0.162580
C -2.662443 -0.390546 -0.427849
C -1.590420 1.092978 1.206943
C -3.938730 0.031210 0.014242
C -2.868410 1.511203 1.644148
C -4.040535 0.991772 1.060220
C -5.151906 -0.563981 -0.651636
C -6.536033 -0.125715 -0.181327
H 3.033090 1.705385 -1.128857
H 5.345965 -0.454208 0.630920
H 2.044669 -1.628696 -0.321382
H 1.971261 -0.411950 -1.609521
H 4.966345 1.734369 -2.665226
H 5.715407 0.339941 -1.839337
H 4.185244 0.126914 -2.749305
H 4.146458 2.377639 1.000260
H 5.007972 3.031890 -0.434771
H 5.685985 1.646037 0.455485
H 5.522415 -2.840026 -0.008188
H 3.832678 -2.876049 -0.571112
H 5.040680 -1.889309 -1.446337
H 3.801357 -0.666346 2.565571
H 4.693875 -2.205956 2.313120
H 2.988618 -2.068351 1.804708
H 1.035374 1.261073 0.088381
H 1.024947 -0.066049 1.310670
H -2.590063 -1.128754 -1.232477
H -0.694793 1.509235 1.677282
H -2.940217 2.249992 2.450025
H -5.018912 1.329831 1.414489
H -6.670931 0.965045 -0.304367
H -6.682694 -0.358770 0.889812
H -7.299156 -0.653064 -0.773260


