%chk=000059966.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059966

0 1
 O    2.289500     -0.8517000     -6.5399997E-02
 O   0.5711000      0.5227000     -0.6882000    
 O   -4.156900      0.2299000     -0.7570000    
 N    5.871800       1.405800     -2.8999999E-02
 N   0.1948000      -1.625300      0.1631000    
 C    3.222400      0.1558000     -0.4351000    
 C    3.505700       1.066300      0.7570000    
 C    4.506400     -0.5104000     -0.9204000    
 C    4.639200       2.046300      0.4496000    
 C    5.606100      0.5226000      -1.172500    
 C    6.590400      0.7207000       1.042900    
 C    7.932500      0.1992000      0.5582000    
 C   0.9607000     -0.5487000     -0.2403000    
 C   -1.213600      -1.743200      0.1547000    
 C   -5.845600       1.841800     -0.2044000    
 C   -1.999600     -0.6854000     -0.3024000    
 C   -5.454000      0.3712000     -0.1802000    
 C   -7.221800       2.068900      0.4146000    
 C   -3.389500     -0.8020000     -0.3107000    
 C   -1.817700      -2.917500      0.6039000    
 C   -3.993600      -1.976400      0.1384000    
 C   -3.207700      -3.034200      0.5957000    
 C   -7.590600       3.543600      0.4274000    
 H    2.834700      0.7571000      -1.268700    
 H    2.599200       1.623300       1.023200    
 H    3.745800      0.4619000       1.640800    
 H    4.840300      -1.261200     -0.1932000    
 H    4.301300      -1.068400      -1.842300    
 H    4.847800       2.661000       1.333900    
 H    4.297900       2.751200     -0.3199000    
 H    5.287100       1.159400      -2.009400    
 H    6.508500      3.0600000E-02  -1.547600    
 H    6.789000       1.436300       1.850600    
 H    6.016600     -0.1025000       1.482800    
 H    7.834100     -0.6972000     -6.1299998E-02
 H    8.486200      0.9604000     -2.0999999E-03
 H    8.547800     -8.2599998E-02   1.420100    
 H   0.7040000      -2.434700      0.5097000    
 H   -5.087500       2.426700      0.3316000    
 H   -5.828800       2.206900      -1.239000    
 H   -5.468200      3.5999998E-02  0.8651000    
 H   -6.170400     -0.2194000     -0.7630000    
 H   -1.596800      0.2511000     -0.6633000    
 H   -7.979700       1.511800     -0.1485000    
 H   -7.236600       1.688300       1.442500    
 H   -1.216900      -3.749800      0.9614000    
 H   -5.070000      -2.119100      0.1227000    
 H   -3.677300      -3.951200      0.9395000    
 H   -8.580400       3.683000      0.8732000    
 H   -7.615200       3.950600     -0.5885000    
 H   -6.869700       4.123500       1.012700    


%chk=000059966-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059966

0 1
O 2.339082 -0.873326 -0.232048
O 0.627728 0.751367 -0.358967
O -4.156487 0.590088 0.083630
N 6.107010 1.233174 -0.016455
N 0.208473 -1.542482 0.083878
C 3.366245 0.191231 -0.476393
C 3.726893 0.904113 0.837905
C 4.583285 -0.504864 -1.095708
C 4.913549 1.884411 0.577146
C 5.738638 0.532223 -1.271453
C 6.912531 0.434283 0.943496
C 8.350889 0.189326 0.448261
C 0.999854 -0.436016 -0.181865
C -1.205692 -1.599284 0.216711
C -6.157728 1.944257 0.001318
C -2.030223 -0.460091 0.086548
C -5.623985 0.525881 0.212359
C -7.698990 2.005910 0.111436
C -3.431325 -0.601690 0.232205
C -1.779323 -2.873748 0.491455
C -4.019542 -1.862508 0.505570
C -3.173500 -2.988388 0.631788
C -8.246868 3.433298 -0.102992
H 2.923990 0.921150 -1.183240
H 2.851819 1.459793 1.221090
H 4.016448 0.150180 1.594870
H 4.907796 -1.331640 -0.435132
H 4.316192 -0.946047 -2.074001
H 5.207182 2.381692 1.519082
H 4.574931 2.678098 -0.119823
H 5.424265 1.298821 -2.008335
H 6.630281 0.033838 -1.688599
H 6.955802 1.015523 1.884551
H 6.442439 -0.547426 1.201747
H 8.377083 -0.449294 -0.453368
H 8.834721 1.150412 0.202066
H 8.944538 -0.318873 1.230768
H 0.723116 -2.419161 0.190109
H -5.697624 2.616425 0.750662
H -5.835349 2.304950 -0.994097
H -5.894046 0.146246 1.220699
H -6.034638 -0.170420 -0.549369
H -1.603491 0.521811 -0.124635
H -8.151359 1.321221 -0.635012
H -8.014382 1.635099 1.108188
H -1.138063 -3.757438 0.592122
H -5.100418 -1.977838 0.618572
H -3.614075 -3.969048 0.842904
H -9.348911 3.458805 -0.023049
H -7.970148 3.816685 -1.102920
H -7.835814 4.132272 0.649224


