%chk=000164019.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164019

0 1
 O  -0.6396000      0.6969000       1.291000    
 O    4.251900      0.1933000     -6.7800000E-02
 O   0.8198000       1.511100       2.881100    
 O    2.062100       3.218300      -2.443200    
 O    2.133000     -0.6327000      0.2532000    
 O  -0.1718000       3.326500      -2.119100    
 N    2.499400       1.535500     -0.4874000    
 C   -2.094700      -1.188600       1.478300    
 C   -3.269400     -0.3709000      0.9604000    
 C   -1.576400      -1.824100      0.1960000    
 C   -3.407500     -0.5368000     -0.4362000    
 C   -2.368900      -1.428400     -0.9052000    
 C   -1.045000     -0.3326000       2.175600    
 C   -4.141600      0.4306000       1.678800    
 C  -0.5062000      -2.689600      3.7500001E-02
 C   -4.419900      0.1098000      -1.126400    
 C   -2.086700      -1.892400      -2.179800    
 C   -5.161400       1.082200      0.9830000    
 C  -0.2224000      -3.156800      -1.247100    
 C   -5.298700      0.9241000     -0.4061000    
 C   -1.004300      -2.761400      -2.345100    
 C   0.6390000       2.588600      0.7036000    
 C   0.3108000       1.564300       1.770100    
 C    1.123800       1.953500     -0.6018000    
 C    4.798400      -1.063900      0.3466000    
 C    4.291200      -2.150400     -0.6005000    
 C    6.319500     -0.9518000      0.2706000    
 C    4.350900      -1.339400       1.781500    
 C    2.888000      0.2786000     -6.9799997E-02
 C   0.9269000       2.906400      -1.772200    
 H   -2.468300      -1.977700       2.141700    
 H   -1.466000      0.1148000       3.084200    
 H  -0.1767000     -0.9412000       2.455600    
 H   -4.041900      0.5520000       2.751800    
 H   9.8200001E-02  -3.000200      0.8825000    
 H   -4.540100     -3.8999999E-03  -2.198600    
 H   -2.682400      -1.597500      -3.037300    
 H   -5.859100       1.718600       1.521000    
 H   0.6134000      -3.834200      -1.400900    
 H   -6.100800       1.441300     -0.9264000    
 H  -0.7640000      -3.138100      -3.335800    
 H    1.397700       3.270600       1.107300    
 H  -0.2676000       3.186400      0.5495000    
 H   0.5375000       1.060700     -0.8515000    
 H    3.228900       2.205000     -0.7145000    
 H    3.260200      -2.465500     -0.4209000    
 H    4.351900      -1.821400      -1.644400    
 H    4.897300      -3.058700     -0.4995000    
 H    6.681500     -0.1402000      0.9122000    
 H    6.640200     -0.7071000     -0.7485000    
 H    6.812900      -1.880400      0.5754000    
 H    4.469400     -0.4469000       2.406800    
 H    4.954400      -2.141400       2.223100    
 H    3.311900      -1.664000       1.879800    
 H    1.887300       3.814100      -3.202600    


%chk=000164019-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164019

0 1
O -0.578506 0.846614 0.730175
O 4.430433 0.089393 0.243072
O 1.026519 1.759347 2.160868
O 2.990538 3.215918 -2.625148
O 2.182083 -0.663184 0.079031
O 0.739500 3.048464 -3.179776
N 2.882838 1.433258 -0.697517
C -1.895457 -1.176189 1.124788
C -3.292428 -0.550533 1.160419
C -1.764600 -1.610045 -0.338628
C -3.921472 -0.682446 -0.113374
C -2.977805 -1.339697 -1.038670
C -0.753725 -0.301789 1.658143
C -3.966082 0.056823 2.232780
C -0.669046 -2.191932 -0.997864
C -5.235227 -0.205362 -0.314111
C -3.109452 -1.681922 -2.402388
C -5.283376 0.541929 2.029917
C -0.800954 -2.531144 -2.368512
C -5.911319 0.408650 0.766527
C -2.012736 -2.284873 -3.061615
C 0.724465 2.643248 -0.127891
C 0.430079 1.743793 1.059786
C 1.574322 1.850110 -1.191313
C 4.933274 -1.132502 1.005476
C 4.756492 -2.386902 0.126952
C 6.418695 -0.786525 1.206061
C 4.190393 -1.235407 2.352220
C 3.084349 0.202924 -0.101853
C 1.687083 2.731712 -2.435002
H -1.892626 -2.080992 1.773025
H -0.969309 0.080988 2.672177
H 0.205655 -0.849758 1.676819
H -3.489357 0.161204 3.214949
H 0.282232 -2.352396 -0.479908
H -5.727141 -0.302713 -1.288580
H -4.038668 -1.479909 -2.947246
H -5.820875 1.022329 2.855185
H 0.044900 -2.982507 -2.899395
H -6.930406 0.786904 0.626872
H -2.095503 -2.555355 -4.120503
H 1.284117 3.527597 0.217700
H -0.219796 2.952564 -0.607273
H 0.992033 0.950299 -1.464150
H 3.683991 2.053683 -0.823128
H 3.689838 -2.592228 -0.055226
H 5.268296 -2.254576 -0.842854
H 5.203649 -3.259730 0.637166
H 6.525399 0.135846 1.802437
H 6.916395 -0.633829 0.232987
H 6.927437 -1.610843 1.736823
H 4.258413 -0.281718 2.904212
H 4.656236 -2.027146 2.967109
H 3.127797 -1.481841 2.202653
H 3.014414 3.807397 -3.424802


