%chk=000148117.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148117

0 1
 O   -1.533700     -0.6087000      0.7565000    
 O    1.883500     -8.8000000E-02   2.526800    
 O    2.344800      0.9973000      -2.860400    
 O    3.297400       2.082000       1.684400    
 O  -0.4709000      -4.928000     -0.9649000    
 O   -3.041700     -0.3328000       2.473800    
 N   7.0000000E-02  -2.735500     -0.3438000    
 C   0.5025000      -1.853000      0.7518000    
 C    1.303100     -0.6580000      0.2594000    
 C    1.432000     -0.3750000      -1.115000    
 C   0.8281000      -1.284200      -2.155400    
 C  -0.3264000      -2.102400      -1.595600    
 C  -0.7161000      -1.417700       1.575800    
 C    1.941300      0.1806000       1.188500    
 C    2.191700      0.7291000      -1.529700    
 C    2.808400       1.557200     -0.5935000    
 C    2.684400       1.282400      0.7647000    
 C  -4.7400001E-02  -4.104800     -0.1610000    
 C    3.611800       2.734100      -1.047300    
 C    2.912800     -0.9139000       3.063200    
 C   -2.676200     -0.1246000       1.327300    
 C    3.458700      0.3970000      -3.514700    
 C    2.459000       2.734200       2.634900    
 C   -3.444300      0.7058000      0.3657000    
 C   -4.818500      0.7586000      0.4793000    
 C   -2.760200       1.399600     -0.6115000    
 C   -5.540300       1.538900     -0.4239000    
 C   -3.482100       2.180100      -1.514600    
 C   -4.872100       2.249600      -1.420700    
 H    1.147100      -2.461600       1.396700    
 H    1.612600      -1.963700      -2.510500    
 H   0.4598000     -0.7103000      -3.013200    
 H  -0.6228000      -2.863200      -2.326000    
 H   -1.206800      -1.478600      -1.421200    
 H  -0.4296000     -0.8602000       2.472800    
 H   -1.284300      -2.300800       1.894200    
 H   0.2875000      -4.416600      0.8420000    
 H    3.250800       3.135900      -1.999900    
 H    3.549600       3.562300     -0.3332000    
 H    4.662800       2.450100      -1.160800    
 H    3.826200     -0.3274000       3.201500    
 H    2.583600      -1.280300       4.039400    
 H    3.123100      -1.773700       2.419500    
 H    4.399600      0.7788000      -3.107100    
 H    3.431600     -0.6928000      -3.423500    
 H    3.411100      0.6567000      -4.575900    
 H    2.456700       2.178400       3.576600    
 H    2.879100       3.725500       2.829500    
 H    1.435100       2.864500       2.267100    
 H   -5.350200      0.2072000       1.249100    
 H   -1.678100       1.371800     -0.6976000    
 H   -6.622700       1.592700     -0.3513000    
 H   -2.961700       2.735800      -2.289300    
 H   -5.434000       2.857700      -2.123700    


%chk=000148117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148117

0 1
O -1.579258 -0.665457 0.661639
O 1.769862 -0.344391 2.552990
O 2.302337 0.896586 -2.924033
O 3.189066 2.044065 1.739813
O 0.124620 -5.161285 -1.191205
O -3.173405 -0.579360 2.358560
N 0.153979 -2.948084 -0.397909
C 0.469294 -2.030850 0.712835
C 1.289934 -0.833061 0.223407
C 1.442294 -0.544235 -1.156973
C 0.846334 -1.447934 -2.228428
C -0.278577 -2.343726 -1.676124
C -0.787408 -1.597772 1.504162
C 1.912879 0.002493 1.182475
C 2.203175 0.593761 -1.535655
C 2.777193 1.483167 -0.590732
C 2.607300 1.174573 0.783126
C 0.344894 -4.313234 -0.281133
C 3.512176 2.735487 -1.019307
C 3.044789 -0.600023 3.268948
C -2.772237 -0.200941 1.230033
C 3.554676 0.440012 -3.556106
C 2.210608 2.728424 2.621039
C -3.475923 0.766478 0.340280
C -4.754984 1.229869 0.744813
C -2.903956 1.232462 -0.872651
C -5.460080 2.146949 -0.060506
C -3.612799 2.152470 -1.673801
C -4.890801 2.609149 -1.271520
H 1.075116 -2.593171 1.452670
H 1.643137 -2.095438 -2.647429
H 0.473259 -0.831970 -3.065828
H -0.508256 -3.171934 -2.366372
H -1.193857 -1.752882 -1.498931
H -0.490504 -1.077816 2.430304
H -1.412956 -2.472915 1.755511
H 0.724861 -4.599908 0.728060
H 3.202923 3.031158 -2.035079
H 3.315865 3.562212 -0.317244
H 4.608370 2.581267 -1.019072
H 3.693065 0.292813 3.244539
H 2.754279 -0.842744 4.302437
H 3.572681 -1.458092 2.811429
H 4.435560 0.922806 -3.090551
H 3.659180 -0.659956 -3.480683
H 3.482119 0.736882 -4.613716
H 1.617966 1.995336 3.196797
H 2.814172 3.353995 3.296126
H 1.534516 3.364197 2.019069
H -5.172831 0.859793 1.686978
H -1.910948 0.880934 -1.167743
H -6.448462 2.501107 0.251375
H -3.170483 2.514415 -2.608175
H -5.439053 3.322420 -1.897210


