%chk=000092047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092047

0 1
 O  -0.6132000      -4.030200      0.4229000    
 O    3.615500       2.768900     -7.6099999E-02
 O   -2.123700       2.741700       1.037700    
 O   -4.167300       2.558100      0.2573000    
 N   4.6599999E-02  -1.783800      0.1887000    
 N    2.897900      0.5911000     -0.4589000    
 N   -3.034500       2.081800      0.4906000    
 C    1.152100     -0.8427000      0.5051000    
 C   0.6992000      0.1930000       1.533900    
 C    1.727500     -0.2115000     -0.7683000    
 C  -0.4670000       1.012600       1.013500    
 C   -1.511200      0.1474000      0.3572000    
 C   -1.255600      -1.185600     -3.9200000E-02
 C    4.009200     -0.1292000      0.1622000    
 C   -2.770100      0.7290000      0.1164000    
 C   0.2401000      -3.179300      0.1580000    
 C   -2.290300      -1.883600     -0.6880000    
 C   -3.781700      8.1000002E-03 -0.5072000    
 C   -3.539400      -1.296300     -0.9128000    
 C    2.958200       1.959800     -0.7361000    
 C    4.297500      0.4351000       1.547300    
 C    5.246200     -7.2099999E-02 -0.7256000    
 C    1.630100      -3.664200     -0.1877000    
 C   -5.127800      0.6020000     -0.7715000    
 C    2.161800       2.450000      -1.919400    
 H    1.912300      -1.438200       1.015200    
 H    1.494300      0.8777000       1.832700    
 H   0.3900000     -0.3385000       2.445400    
 H   0.9630000      0.3801000      -1.277600    
 H    2.040700     -0.9748000      -1.488000    
 H  -9.5500000E-02   1.776200      0.3222000    
 H  -0.8309000       1.445700       1.951300    
 H    3.763600      -1.191400      0.2564000    
 H   -2.144000      -2.893900      -1.059800    
 H   -4.305700      -1.878700      -1.418200    
 H    4.661000       1.465100       1.536300    
 H    5.088300     -0.1589000       2.021900    
 H    3.436800      0.3804000       2.213400    
 H    5.027500     -0.4707000      -1.722500    
 H    5.612800      0.9521000     -0.8527000    
 H    6.059800     -0.6664000     -0.2962000    
 H    1.575500      -4.709000     -0.5100000    
 H    2.276200      -3.607100      0.6915000    
 H    2.058000      -3.090900      -1.010300    
 H   -5.087600       1.428100      -1.489700    
 H   -5.773000     -0.1431000      -1.257300    
 H   -5.663400      0.8534000      0.1504000    
 H    2.617800       3.367400      -2.304100    
 H    2.165000       1.712400      -2.726500    
 H    1.136300       2.668500      -1.612300    


%chk=000092047-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092047

0 1
O -0.711420 -3.938857 0.264232
O 4.285357 2.537048 -0.477530
O -2.408434 3.000174 0.133122
O -4.385668 2.206363 0.934248
N 0.038071 -1.708711 0.261117
N 2.959886 0.623743 -0.494082
N -3.239940 2.035738 0.365452
C 1.121645 -0.738258 0.597726
C 0.596473 0.247734 1.659955
C 1.676221 -0.073246 -0.705941
C -0.644443 1.016555 1.170920
C -1.589137 0.168588 0.328315
C -1.240750 -1.146007 -0.101958
C 4.148872 -0.254722 -0.202023
C -2.866078 0.662935 -0.059529
C 0.228749 -3.103154 0.411285
C -2.148102 -1.877656 -0.916335
C -3.810987 -0.056618 -0.835531
C -3.396438 -1.338785 -1.267366
C 3.149486 1.997397 -0.672242
C 4.773536 0.044441 1.180123
C 5.191177 -0.205973 -1.343978
C 1.633301 -3.598792 0.762781
C -5.172925 0.480766 -1.227567
C 1.964156 2.848443 -1.132974
H 1.943786 -1.308169 1.052169
H 1.397554 0.960213 1.928017
H 0.352733 -0.332655 2.569377
H 0.932250 0.623215 -1.121560
H 1.816178 -0.880199 -1.455169
H -0.346625 1.897218 0.576621
H -1.185269 1.434833 2.040554
H 3.740433 -1.285388 -0.176282
H -1.877805 -2.875933 -1.257146
H -4.072642 -1.927514 -1.896098
H 5.197923 1.060293 1.190536
H 5.579266 -0.682305 1.392424
H 4.019817 -0.030370 1.986086
H 4.725109 -0.451304 -2.315954
H 5.642368 0.796078 -1.410432
H 5.990860 -0.944196 -1.149533
H 1.604080 -4.696166 0.694765
H 1.925644 -3.327680 1.794192
H 2.409140 -3.222020 0.072131
H -5.127332 1.522131 -1.593460
H -5.610665 -0.144983 -2.022787
H -5.860829 0.482840 -0.364212
H 2.333019 3.879167 -1.237569
H 1.565443 2.517419 -2.109454
H 1.131858 2.851930 -0.407938


