%chk=000290323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290323

0 1
O 2.614356 2.076130 -2.582379
O 3.707540 2.698813 -0.013386
O -2.505498 1.030790 0.675108
O -7.656231 -0.997677 2.130964
N 1.093705 -3.296279 -0.083155
N -2.627421 -1.167804 0.071012
C 0.931147 -2.174918 -1.068243
C 1.705509 -0.911949 -0.744454
C -0.586885 -1.865626 -1.161830
C 2.252945 -0.686920 0.525812
C 2.122626 -1.753885 1.572567
C 2.196583 -3.137003 0.909348
C -1.165669 -1.402962 0.183133
C 1.852702 0.058910 -1.747066
C 2.923208 0.514903 0.808319
C 2.525010 1.255384 -1.479493
C 3.057866 1.487492 -0.180708
C -3.185052 0.084742 0.311802
C -4.690116 0.182206 0.104148
C -5.445699 -0.446591 1.274469
C 3.071901 3.436226 -2.378216
C 4.055905 3.082574 1.339264
C -6.958690 -0.263558 1.115669
H 1.263986 -2.523527 -2.085878
H -1.115976 -2.772324 -1.511705
H -0.752126 -1.087006 -1.931920
H 1.150346 -1.635640 2.099914
H 2.904850 -1.665365 2.349731
H 2.056493 -3.934544 1.673171
H 3.205107 -3.281246 0.462865
H 1.229079 -4.174131 -0.596232
H -0.981524 -2.174175 0.966526
H -0.664753 -0.462102 0.519175
H 1.441974 -0.092538 -2.745089
H 3.333974 0.674383 1.801272
H -3.191358 -1.950854 -0.234427
H -4.991970 -0.274380 -0.857531
H -4.946204 1.261683 0.015678
H -5.216053 -1.528375 1.358956
H -5.104524 0.002828 2.229580
H 2.435321 3.945909 -1.648877
H 4.118276 3.430523 -2.051463
H 2.962531 3.863067 -3.381141
H 4.464876 4.089102 1.186259
H 4.817062 2.406822 1.739052
H 3.163332 3.112906 1.971210
H -7.343806 -0.718857 0.183324
H -7.259861 0.797699 1.160856
H -7.433996 -0.655655 3.018814


%chk=000290323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290323

0 1
O 1.575599 2.559387 -1.741514
O 3.603650 2.781699 0.207052
O -2.720037 0.436532 -0.419102
O -7.626709 1.677582 1.156302
N 1.444482 -3.373061 0.025701
N -2.537473 -1.690915 0.501233
C 1.041577 -2.292375 -0.911498
C 1.743198 -0.973311 -0.558966
C -0.508320 -2.183473 -0.898350
C 2.788823 -0.908565 0.397336
C 3.261893 -2.161900 1.122999
C 2.892492 -3.423049 0.320977
C -1.063360 -1.708954 0.464050
C 1.360187 0.215581 -1.229243
C 3.411587 0.337207 0.668467
C 1.971602 1.452930 -0.966297
C 3.018680 1.518463 0.004466
C -3.271651 -0.611387 0.043926
C -4.797377 -0.759193 0.126163
C -5.457560 0.512261 0.710210
C 1.010501 3.705428 -0.997549
C 4.728458 2.858211 1.140220
C -6.988800 0.490093 0.566174
H 1.338295 -2.542998 -1.963725
H -0.930910 -3.179011 -1.148286
H -0.845967 -1.486022 -1.685666
H 2.780815 -2.228931 2.118848
H 4.356409 -2.119732 1.286487
H 3.099339 -4.331537 0.915534
H 3.522265 -3.470259 -0.601903
H 1.072047 -4.280687 -0.283372
H -0.685540 -2.368133 1.264642
H -0.712181 -0.681905 0.660657
H 0.560797 0.214249 -1.977353
H 4.224409 0.363570 1.402679
H -3.032631 -2.510304 0.855559
H -5.085665 -1.652192 0.715034
H -5.170499 -0.916979 -0.906641
H -5.195357 0.622590 1.779391
H -5.033839 1.387671 0.179658
H 0.092959 3.395558 -0.460913
H 1.749761 4.118556 -0.289884
H 0.759209 4.451349 -1.767129
H 5.043487 3.912114 1.125627
H 5.566535 2.213515 0.811030
H 4.423499 2.573715 2.166548
H -7.428392 -0.355577 1.123070
H -7.268413 0.382980 -0.505858
H -7.247075 2.486409 0.728014


