%chk=000231038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231038

0 1
O 1.476065 0.254777 -0.736648
O 1.390985 1.041882 1.377839
C 4.335276 -1.416546 0.307092
C 3.536266 -0.944254 -0.926933
C 2.945677 0.459768 -0.791012
C 5.554125 -0.520209 0.559483
C 3.450088 -1.502260 1.553410
C 3.144021 1.344567 -2.011045
C -4.889536 -0.442933 0.039428
C -3.396168 -0.181924 0.113913
C -0.640125 0.311548 0.283829
C 0.808897 0.586281 0.413922
C -2.841768 0.339612 1.294532
C -2.558559 -0.453739 -0.980427
C -5.160026 -1.934727 -0.189527
C -5.528188 0.419474 -1.055741
C -1.471929 0.585986 1.381434
C -1.188371 -0.209151 -0.898344
H 4.708896 -2.448067 0.076385
H 2.707516 -1.658640 -1.121539
H 4.184012 -1.003432 -1.822127
H 3.260255 0.971537 0.148013
H 5.259317 0.494488 0.851179
H 6.186503 -0.438900 -0.329688
H 6.173435 -0.917532 1.371204
H 3.037335 -0.520851 1.834341
H 2.598406 -2.171819 1.397232
H 4.010216 -1.872700 2.417551
H 2.716685 0.889972 -2.913984
H 2.646787 2.314537 -1.880569
H 4.207190 1.534495 -2.196190
H -5.358291 -0.156317 1.017615
H -3.480535 0.554872 2.149707
H -2.981409 -0.857685 -1.898751
H -4.780873 -2.276855 -1.158933
H -6.234228 -2.148878 -0.165682
H -4.681684 -2.548525 0.582810
H -5.311862 1.483099 -0.900780
H -6.617231 0.300346 -1.066562
H -5.161290 0.154335 -2.053562
H -1.035598 0.992540 2.298281
H -0.532781 -0.418672 -1.747757


%chk=000231038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231038

0 1
O 1.626362 0.314836 -0.684782
O 1.319044 1.895704 1.007922
C 4.204402 -1.592793 0.039480
C 3.822559 -0.644588 -1.134232
C 3.095497 0.657205 -0.748768
C 5.311996 -0.980010 0.932740
C 2.987866 -2.026708 0.892019
C 3.265231 1.789483 -1.772336
C -4.837665 -0.461632 0.131520
C -3.353704 -0.089573 0.146754
C -0.587807 0.619528 0.176843
C 0.846370 1.024417 0.230813
C -2.859604 0.883742 1.053986
C -2.432785 -0.701344 -0.747007
C -5.054496 -1.964376 0.455629
C -5.502070 -0.087027 -1.221009
C -1.495983 1.237953 1.072545
C -1.068155 -0.356016 -0.735963
H 4.626827 -2.506389 -0.430813
H 3.182047 -1.183564 -1.859908
H 4.750514 -0.368290 -1.674665
H 3.385024 1.017655 0.255234
H 4.956511 -0.067516 1.448036
H 6.205888 -0.709996 0.339121
H 5.626210 -1.696225 1.714331
H 2.566988 -1.172497 1.453185
H 2.179904 -2.444216 0.264299
H 3.287225 -2.795622 1.628906
H 2.953896 1.458169 -2.779278
H 2.664204 2.669132 -1.485271
H 4.325374 2.099149 -1.819896
H -5.337938 0.128497 0.925689
H -3.554504 1.367317 1.751333
H -2.787038 -1.456507 -1.458548
H -4.592317 -2.609153 -0.314857
H -6.134354 -2.200037 0.488659
H -4.610185 -2.231544 1.431073
H -5.381647 0.988573 -1.442180
H -6.583130 -0.318649 -1.197225
H -5.052819 -0.656570 -2.055657
H -1.112309 1.989137 1.770958
H -0.363930 -0.830153 -1.425283


