%chk=000268405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268405

0 1
O 5.888536 1.625059 0.257068
O -5.882182 -1.639072 -0.097978
O 8.579483 0.524830 0.263398
O -8.583384 -0.580570 0.095655
N 1.373042 -0.335852 -0.316371
N -1.368220 0.370955 0.163311
N 2.651431 -0.788259 -0.201593
N -2.647415 0.823357 0.048208
C 0.407017 -1.350855 0.234601
C 1.008967 1.057196 0.119285
C -1.005231 -1.021017 -0.277292
C -0.403833 1.385094 -0.392551
C 3.686395 0.009352 -0.174966
C -3.682111 0.025014 0.045279
C 5.039969 -0.566777 -0.234695
C -5.036724 0.599066 0.096356
C 6.144141 0.275714 0.021839
C -6.142629 -0.278523 0.050844
C 5.283807 -1.915428 -0.542477
C -5.281308 1.979532 0.186143
C 7.457261 -0.232552 -0.048313
C -7.456647 0.232213 0.070227
C 6.587283 -2.417229 -0.582493
C -6.586722 2.475020 0.235301
C 7.681568 -1.583395 -0.343837
C -7.681850 1.611052 0.169789
C 6.240793 2.052291 1.603384
C -6.305886 -2.436260 1.044281
C 8.783689 1.676272 -0.601478
C -8.737462 -1.424933 -1.078622
H 0.420745 -1.370964 1.347009
H 0.710126 -2.362887 -0.119310
H 1.730696 1.780507 -0.320333
H 1.055879 1.169983 1.225102
H -1.051237 -1.129113 -1.383987
H -1.728023 -1.746036 0.156790
H -0.706880 2.398235 -0.042237
H -0.418406 1.401446 -1.505147
H 3.667815 1.109468 -0.112663
H -3.661181 -1.076463 0.004562
H 4.436856 -2.574720 -0.745637
H -4.433336 2.667108 0.225117
H 6.752980 -3.469845 -0.810972
H -6.753152 3.548844 0.317935
H 8.702587 -1.958788 -0.380676
H -8.704097 1.983982 0.196945
H 6.056886 3.130318 1.561027
H 7.294014 1.829606 1.811559
H 5.582270 1.559951 2.323582
H -7.371790 -2.278300 1.247241
H -5.695353 -2.176751 1.913100
H -6.107010 -3.456657 0.702331
H 9.053000 1.327882 -1.602210
H 7.887885 2.307528 -0.628185
H 9.623531 2.183759 -0.115807
H -9.592775 -2.050336 -0.802738
H -8.965827 -0.796129 -1.943372
H -7.834982 -2.023227 -1.249428


%chk=000268405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268405

0 1
O 5.946348 1.677253 0.268591
O -5.942437 -1.687346 -0.145637
O 8.641354 0.644368 0.064667
O -8.638136 -0.645410 -0.047216
N 1.373479 -0.353109 -0.100265
N -1.372489 0.357667 0.154455
N 2.667377 -0.836739 -0.100667
N -2.666855 0.841322 0.149201
C 0.383249 -1.374069 0.292633
C 1.021078 1.033174 0.286360
C -1.019646 -1.027950 -0.235138
C -0.382433 1.378660 -0.240254
C 3.710052 -0.025628 -0.010694
C -3.709024 0.030305 0.053869
C 5.069142 -0.575943 -0.103979
C -5.069011 0.582128 0.123721
C 6.188171 0.295889 0.046804
C -6.186329 -0.299623 0.027208
C 5.316086 -1.960821 -0.334295
C -5.318626 1.975647 0.290277
C 7.514650 -0.205774 -0.071849
C -7.513635 0.212875 0.054738
C 6.630314 -2.458332 -0.401026
C -6.633729 2.469965 0.363121
C 7.736307 -1.582553 -0.277248
C -7.738060 1.592166 0.238652
C 6.427681 2.181815 1.577117
C -6.430612 -2.539850 0.965218
C 8.777359 1.657707 -1.007142
C -8.781387 -1.312487 -1.361752
H 0.339621 -1.463197 1.401432
H 0.724711 -2.338281 -0.116896
H 1.740435 1.736628 -0.167280
H 1.065551 1.152890 1.392756
H -1.063395 -1.145353 -1.341558
H -1.739647 -1.732745 0.215497
H -0.723468 2.343294 0.168613
H -0.339837 1.466691 -1.349017
H 3.644027 1.064870 0.117692
H -3.642386 -1.059189 -0.082294
H 4.451789 -2.621777 -0.448231
H -4.455566 2.643132 0.370290
H 6.803006 -3.527564 -0.565208
H -6.808293 3.542165 0.504293
H 8.768314 -1.940600 -0.346107
H -8.770847 1.952919 0.273230
H 6.191022 3.257119 1.582129
H 7.515706 2.022273 1.680016
H 5.893788 1.672162 2.401651
H -7.517028 -2.405449 1.110791
H -5.892572 -2.291997 1.900043
H -6.204688 -3.574109 0.662593
H 8.929645 1.159607 -1.983671
H 7.884374 2.307121 -1.052697
H 9.670058 2.245581 -0.743483
H -9.670935 -1.954595 -1.269685
H -8.942526 -0.558089 -2.155416
H -7.888099 -1.919116 -1.597051


