%chk=000047961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047961

0 1
 O    1.248100       1.495100     -0.6618000    
 O    2.075000       2.003200       1.416100    
 O    1.407200     -0.9249000      -1.208500    
 N   -2.815800      0.4061000     -0.1227000    
 C   -2.551900     -0.1765000       1.211900    
 C   -3.609200     -0.4787000      -1.002800    
 C   -3.875500     -0.5385000       1.906400    
 C   -4.942500     -0.8538000     -0.3268000    
 C   -4.740000      -1.458100       1.055700    
 C   -1.588500      0.8972000     -0.7500000    
 C   -1.580200      -1.368100       1.221500    
 C   -3.932000      0.1646000      -2.360600    
 C  -0.9662000       2.002300      9.7599998E-02
 C   0.3029000       2.549300     -0.5419000    
 C    2.098000       1.314500      0.4013000    
 C    3.021400      0.2048000      0.1599000    
 C    2.642500     -0.8723000     -0.6350000    
 C    4.285200      0.2445000      0.7403000    
 C    3.536800      -1.920500     -0.8518000    
 C    5.179400     -0.8039000      0.5235000    
 C    4.805200      -1.886300     -0.2724000    
 H   -2.130000      0.5850000       1.875000    
 H   -3.051300      -1.401700      -1.206200    
 H   -4.436100      0.3832000       2.113700    
 H   -3.683800      -1.008700       2.878400    
 H   -5.491100      -1.569900     -0.9507000    
 H   -5.577700      3.7799999E-02 -0.2378000    
 H   -4.269900      -2.444100      0.9656000    
 H   -5.710500      -1.611900       1.540800    
 H  -0.8903000      8.2099997E-02 -0.9521000    
 H   -1.809300       1.359900      -1.717200    
 H   -1.901400      -2.180300      0.5633000    
 H   -1.497500      -1.782300       2.232800    
 H  -0.5714000      -1.067000      0.9243000    
 H   -4.352500       1.169000      -2.238800    
 H   -4.665800     -0.4373000      -2.909000    
 H   -3.047300      0.2303000      -3.001700    
 H   -1.681400       2.822000      0.2359000    
 H  -0.6781000       1.639800       1.087500    
 H   0.7027000       3.394900      2.9800000E-02
 H   9.3000002E-02   2.922600      -1.550100    
 H    4.593900       1.081600       1.360800    
 H    3.258900      -2.770300      -1.469500    
 H    6.167300     -0.7771000      0.9739000    
 H    5.501600      -2.702500     -0.4412000    
 H    1.327700      -1.749400      -1.718000    


%chk=000047961-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047961

0 1
O 1.304856 1.497213 -0.739155
O 2.353254 2.184092 1.228203
O 1.543530 -1.202995 -1.067874
N -2.908600 0.391145 -0.079938
C -2.658422 -0.285337 1.239082
C -3.753894 -0.428448 -1.011191
C -4.007819 -0.601933 1.929235
C -5.105227 -0.763216 -0.329370
C -4.925800 -1.459016 1.034533
C -1.665773 0.919852 -0.708944
C -1.729379 -1.535771 1.166013
C -4.033072 0.303795 -2.343255
C -0.959590 1.997237 0.143084
C 0.276301 2.570977 -0.562288
C 2.250398 1.371156 0.271992
C 3.177247 0.215957 0.065810
C 2.848713 -1.001786 -0.597551
C 4.480478 0.353282 0.615828
C 3.825480 -2.021981 -0.731766
C 5.451811 -0.656433 0.482420
C 5.120061 -1.848291 -0.204300
H -2.147522 0.459744 1.877497
H -3.246835 -1.398605 -1.258922
H -4.516044 0.356755 2.150927
H -3.811887 -1.108588 2.894272
H -5.698732 -1.400328 -1.014244
H -5.661686 0.185731 -0.189772
H -4.488718 -2.467470 0.888929
H -5.908067 -1.608473 1.522789
H -0.930549 0.119987 -0.962543
H -1.952239 1.400755 -1.660538
H -2.168469 -2.348855 0.560037
H -1.556209 -1.931324 2.184294
H -0.744803 -1.281975 0.732377
H -4.376266 1.336584 -2.146530
H -4.834604 -0.227035 -2.889189
H -3.154652 0.343473 -3.010427
H -1.672380 2.822750 0.340441
H -0.638695 1.607164 1.126048
H 0.722694 3.398394 0.016204
H 0.055041 2.893406 -1.593756
H 4.703363 1.280900 1.152969
H 3.564382 -2.957201 -1.245077
H 6.451524 -0.519559 0.905575
H 5.862147 -2.645527 -0.320885
H 1.464253 -2.104501 -1.471644


