%chk=000244779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244779

0 1
O -1.365348 -2.339502 0.518231
O 3.160825 -1.333904 1.293783
O -1.561576 3.568882 1.105023
O -1.905455 -2.308410 -1.678190
N -0.310496 2.324963 -1.143353
C -1.752174 2.123257 -0.823071
C 0.596429 1.475110 -0.426618
C 0.202629 0.121169 -0.189655
C -2.081527 0.653792 -0.883345
C -1.156999 -0.273477 -0.580141
C -2.206591 2.720038 0.538867
C 0.058959 3.762413 -1.256425
C 1.893718 1.882049 -0.071840
C 1.096420 -0.772669 0.395728
C 2.389603 -0.333074 0.731533
C 2.797826 0.984073 0.500664
C -1.508279 -1.720892 -0.700213
C -3.508956 2.210410 1.077519
C -1.622945 -3.780151 0.590703
C 4.506039 -0.991887 1.700545
C -0.431857 -4.539735 0.047428
H -2.334361 2.666935 -1.622391
H -3.095640 0.402650 -1.190371
H 0.083482 4.291168 -0.285088
H -0.661993 4.277204 -1.911143
H 1.047368 3.843450 -1.739503
H 2.215130 2.910078 -0.234121
H 0.808325 -1.804516 0.613993
H 3.795443 1.323289 0.762375
H -4.305476 2.184038 0.325728
H -3.396728 1.189542 1.476086
H -3.861101 2.834708 1.914065
H -1.764168 -3.907073 1.679811
H -2.555596 -3.999759 0.041528
H 5.099755 -0.685225 0.834787
H 4.866960 -1.946484 2.105208
H 4.485883 -0.221499 2.476613
H -0.541041 -5.620045 0.200074
H -0.310027 -4.371461 -1.033565
H 0.504440 -4.228456 0.530042


%chk=000244779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244779

0 1
O -0.600669 -2.726443 0.225814
O 3.375031 -1.021247 1.911629
O -1.508733 3.682940 1.018771
O -2.830210 -2.090055 0.079633
N -0.293562 2.165165 -1.000736
C -1.724625 1.976468 -0.746113
C 0.637760 1.405388 -0.265532
C 0.267893 0.099146 0.233630
C -2.038923 0.514509 -0.540913
C -1.104116 -0.366769 -0.054253
C -2.258102 2.846929 0.458518
C 0.118787 3.411822 -1.655615
C 1.959011 1.869710 -0.048776
C 1.222655 -0.651564 0.956851
C 2.528802 -0.164029 1.174420
C 2.904543 1.098182 0.660656
C -1.610491 -1.776568 0.096241
C -3.701237 2.618407 0.880240
C -1.037221 -4.156492 0.309853
C 4.736911 -0.554524 2.159687
C -1.214227 -4.745687 -1.092226
H -2.291739 2.341226 -1.631484
H -3.047526 0.152519 -0.764457
H 0.319844 4.227565 -0.932205
H -0.688987 3.745181 -2.330975
H 1.023253 3.240005 -2.267660
H 2.253043 2.860417 -0.403958
H 0.967596 -1.640341 1.338775
H 3.909125 1.502354 0.817161
H -4.368250 2.524121 0.003343
H -3.772162 1.666848 1.441326
H -4.043881 3.439253 1.529364
H -0.216589 -4.641359 0.862436
H -1.975073 -4.204639 0.889935
H 5.289776 -0.391966 1.212560
H 5.219302 -1.359372 2.734348
H 4.744720 0.381289 2.753823
H -1.439773 -5.825701 -1.015829
H -2.048924 -4.255823 -1.620669
H -0.292132 -4.625864 -1.686309


