%chk=000225594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225594

0 1
O -0.385156 -0.258066 0.064541
O 1.862513 -3.004857 -0.422394
O -0.217652 -2.954340 0.478802
O -1.379180 -0.530369 -1.948179
N 3.604710 1.253369 -0.778814
C 0.818854 -0.900249 -0.433862
C 1.977994 -0.214531 0.285306
C 2.326457 1.115392 -0.328062
C 0.701802 -2.379858 -0.043936
C 1.383385 2.159287 -0.406905
C -1.476353 -0.172626 -0.799052
C -2.627833 0.423187 -0.088979
C 1.772866 3.373577 -0.973250
C 1.991699 -4.441846 -0.166381
C 3.967221 2.443476 -1.324670
C 3.082113 3.526762 -1.441685
C -3.680633 0.951145 -0.855222
C -2.686903 0.445304 1.312492
C 2.302514 -4.678099 1.295820
C -4.786013 1.511356 -0.212970
C -3.798270 1.006315 1.946701
C -4.844167 1.539099 1.185685
H 0.870946 -0.801473 -1.548356
H 1.728244 -0.069352 1.360515
H 2.869479 -0.893407 0.266602
H 0.371440 2.006407 -0.031847
H 1.062022 4.196447 -1.049572
H 1.060987 -4.939318 -0.492250
H 2.831908 -4.692109 -0.840517
H 5.003828 2.511856 -1.675043
H 3.409460 4.461985 -1.887349
H -3.628234 0.914413 -1.946400
H -1.865622 0.018866 1.895503
H 2.546758 -5.729850 1.488256
H 3.153165 -4.071485 1.632256
H 1.443706 -4.418336 1.933213
H -5.605373 1.922808 -0.801158
H -3.850346 1.024326 3.034623
H -5.710641 1.975393 1.683636


%chk=000225594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225594

0 1
O -0.359403 -0.193130 0.088056
O 1.809678 -3.096119 -0.471995
O -0.180645 -2.918959 0.742841
O -1.431552 -1.126296 -1.761954
N 2.366027 1.307342 -1.441532
C 0.867109 -0.915342 -0.303305
C 2.032022 -0.233888 0.438404
C 2.290109 1.172214 -0.080851
C 0.729691 -2.398973 0.066748
C 2.469012 2.271386 0.794147
C -1.476601 -0.399273 -0.741002
C -2.671071 0.351502 -0.263580
C 2.743706 3.546642 0.250993
C 1.850071 -4.570267 -0.209993
C 2.628249 2.541965 -1.954558
C 2.827270 3.689510 -1.152426
C -3.863975 0.254744 -1.026403
C -2.645748 1.141896 0.914568
C 2.535902 -4.864449 1.126628
C -5.022064 0.945179 -0.615536
C -3.807522 1.831006 1.321683
C -4.996039 1.734865 0.559123
H 1.019366 -0.826032 -1.394028
H 1.825076 -0.213913 1.522892
H 2.932661 -0.853790 0.269851
H 2.389322 2.127311 1.876749
H 2.884356 4.410956 0.908874
H 0.814656 -4.952829 -0.225924
H 2.417370 -4.967442 -1.066439
H 2.676601 2.604406 -3.047929
H 3.034795 4.658963 -1.615902
H -3.859550 -0.364389 -1.929619
H -1.721928 1.203777 1.495921
H 2.627172 -5.957870 1.264734
H 3.549659 -4.428603 1.154941
H 1.946387 -4.460852 1.966913
H -5.942007 0.868580 -1.205083
H -3.789493 2.440216 2.231973
H -5.896975 2.270557 0.879117


