%chk=000049262.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049262

0 1
 O  -9.0999998E-02 -6.3600004E-02   2.319500    
 O   0.1711000      0.5625000      -2.437500    
 O    3.301900      -1.889200     -0.1608000    
 N    1.585900     -0.9633000       1.050300    
 N    1.715400     -0.6558000      -1.269800    
 C  -0.1786000      0.3482000     -5.7700001E-02
 C  -0.3575000       1.861100      0.1275000    
 C   -1.508900     -0.3333000     -0.2156000    
 C   0.4254000     -0.2271000       1.212000    
 C   0.5680000      0.1124000      -1.360600    
 C   0.9829000       2.544800      0.3590000    
 C   -1.449500      -1.834800     -0.3728000    
 C   -2.645000      0.3900000     -0.2356000    
 C   0.8030000       4.039900      0.5670000    
 C    2.270100      -1.216200     -0.1290000    
 C   -1.547400      -2.557900      0.9625000    
 C   -4.045600     -0.1175000     -0.3583000    
 H  -0.9848000       2.088600       1.000800    
 H  -0.8138000       2.329900     -0.7553000    
 H    1.651800       2.393400     -0.4954000    
 H    1.489400       2.139700       1.241600    
 H  -0.5564000      -2.170200     -0.9081000    
 H   -2.279800      -2.166000      -1.008300    
 H   -2.653600       1.470200     -0.1508000    
 H    1.986200      -1.361200       1.895400    
 H    2.211400     -0.8264000      -2.140200    
 H   0.3377000       4.505900     -0.3076000    
 H   0.1754000       4.243700       1.440600    
 H    1.773700       4.519200      0.7290000    
 H   -1.818900      -3.605400      0.7883000    
 H   -2.316200      -2.124200       1.610600    
 H  -0.6008000      -2.575700       1.505900    
 H   -4.482300      0.2203000      -1.303100    
 H   -4.653200      0.2824000      0.4602000    
 H   -4.119600      -1.206400     -0.3155000    


%chk=000049262-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049262

0 1
O 0.131337 0.023240 2.387444
O 0.263158 0.700988 -2.441278
O 3.336438 -2.021306 -0.274291
N 1.665745 -1.013009 1.012834
N 1.738303 -0.676036 -1.324212
C -0.161981 0.387009 -0.032758
C -0.289660 1.930259 0.182704
C -1.529974 -0.350504 -0.188643
C 0.536367 -0.195391 1.218015
C 0.609367 0.168734 -1.357818
C 1.063281 2.662109 0.344833
C -1.466456 -1.875312 -0.316770
C -2.701834 0.341037 -0.214286
C 0.859553 4.178772 0.548194
C 2.316626 -1.291905 -0.201421
C -1.821210 -2.625802 0.996723
C -4.084779 -0.245709 -0.386258
H -0.903084 2.093047 1.087181
H -0.823016 2.349699 -0.689094
H 1.693333 2.497687 -0.552154
H 1.615886 2.250957 1.212917
H -0.461117 -2.196419 -0.651234
H -2.159762 -2.206887 -1.112627
H -2.681975 1.431219 -0.101937
H 2.096780 -1.423313 1.848342
H 2.218715 -0.840427 -2.215497
H 0.335524 4.627118 -0.316466
H 0.254370 4.378323 1.452115
H 1.825975 4.701153 0.665862
H -1.757456 -3.719596 0.848594
H -2.847794 -2.381445 1.321440
H -1.142028 -2.347561 1.820861
H -4.626565 0.278131 -1.196945
H -4.683500 -0.108713 0.536008
H -4.072166 -1.322146 -0.622177


