%chk=000217788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217788

0 1
O -5.451446 -0.511570 -0.478437
O -1.573109 1.995371 -0.442281
O 1.341780 -2.422455 -0.743755
N 1.555349 -0.284765 0.171795
N -3.166515 0.784697 0.626093
C -0.754245 0.095221 0.799266
C 0.639997 0.770473 0.702780
C -0.638032 -1.203687 -0.013522
C -1.838508 1.016650 0.239801
C 0.849376 -1.426576 -0.263066
C -3.668217 -0.491192 1.192935
C -4.241547 1.576318 -0.037821
C 2.966296 -0.061667 0.083717
C -4.402015 -1.302703 0.108938
C -4.976381 0.714631 -1.075691
C 3.825798 -1.115778 -0.286615
C 3.497554 1.210292 0.377126
C 5.199745 -0.890996 -0.353466
C 4.878100 1.410769 0.305223
C 5.734118 0.367764 -0.056344
H -0.972457 -0.135721 1.869889
H 0.614170 1.646843 0.007573
H 0.987231 1.124229 1.694446
H -1.158547 -1.144059 -0.991322
H -1.065997 -2.077283 0.510506
H -4.381546 -0.236505 2.014538
H -2.853903 -1.083748 1.654195
H -3.799931 2.483497 -0.517169
H -4.944879 1.927301 0.750085
H -3.721010 -1.653051 -0.685343
H -4.961237 -2.157287 0.532325
H -5.916784 1.183128 -1.419288
H -4.338235 0.470486 -1.942602
H 3.422361 -2.104370 -0.528773
H 2.857553 2.044669 0.648114
H 5.861975 -1.707965 -0.641352
H 5.287177 2.395202 0.532176
H 6.807061 0.532739 -0.109974


%chk=000217788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217788

0 1
O -5.793892 -0.411910 0.091763
O -1.631991 2.040488 -0.724938
O 1.507810 -2.517766 -0.886519
N 1.620278 -0.302377 0.000784
N -3.145423 0.682460 0.398018
C -0.713083 0.075054 0.414337
C 0.662937 0.785441 0.335227
C -0.536148 -1.152319 -0.521766
C -1.857305 1.011122 -0.008751
C 0.971425 -1.443909 -0.497006
C -3.557335 -0.508274 1.172473
C -4.279591 1.558564 0.016346
C 3.030629 -0.095211 0.099118
C -4.650856 -1.280798 0.399350
C -5.352588 0.737582 -0.722349
C 3.953813 -1.165881 -0.071702
C 3.525681 1.208717 0.381652
C 5.337236 -0.922222 0.048863
C 4.913101 1.433540 0.500490
C 5.830062 0.371373 0.338200
H -0.863544 -0.281221 1.449568
H 0.641565 1.564861 -0.448570
H 0.935561 1.254912 1.296069
H -0.824251 -0.911007 -1.562959
H -1.098051 -2.050004 -0.216482
H -3.968661 -0.182275 2.149265
H -2.700461 -1.172842 1.360561
H -3.881765 2.366608 -0.619604
H -4.716832 2.000081 0.933850
H -4.222987 -1.694818 -0.540332
H -5.058052 -2.101563 1.012272
H -6.259714 1.338269 -0.896379
H -4.953293 0.377377 -1.694594
H 3.580346 -2.163964 -0.306375
H 2.839793 2.053418 0.493318
H 6.035055 -1.756470 -0.085256
H 5.274830 2.445205 0.715838
H 6.906801 0.548661 0.430921


