%chk=000244356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244356

0 1
O -5.470363 2.069752 -0.904142
O 5.803076 1.467951 0.579638
O -1.997470 -1.985579 1.490625
N -3.297312 0.782706 0.438219
N 3.198971 1.079026 -0.539613
C -0.970309 -0.033391 0.652480
C 1.067579 -0.207088 -0.674289
C -2.080734 0.738108 1.320246
C 2.204512 0.413070 -1.451366
C 0.089982 0.588178 -0.032015
C -0.032476 -2.249930 0.082441
C -0.994237 -1.442705 0.721857
C -3.066035 1.603212 -0.794191
C -4.462473 1.336995 1.206150
C 0.989117 -1.603548 -0.616979
C 3.762422 0.113438 0.459911
C 4.312581 1.674961 -1.352737
C -0.116842 -3.759017 0.157718
C -4.340638 1.571371 -1.651589
C -5.703285 1.309745 0.299635
C 4.754842 0.859789 1.363724
C 5.285731 2.389169 -0.401076
C 0.201219 2.077720 -0.077797
C 1.109599 -4.343002 0.868000
C -0.302251 -4.367464 -1.236733
H -2.371160 0.204438 2.259186
H -1.722105 1.750481 1.620705
H 2.676400 -0.348200 -2.113148
H 1.802079 1.202912 -2.128325
H -2.786837 2.654753 -0.572174
H -2.224038 1.146005 -1.358676
H -4.634449 0.689512 2.092685
H -4.289605 2.370245 1.575286
H 1.744039 -2.207043 -1.122843
H 4.261874 -0.757906 -0.013792
H 2.920849 -0.281715 1.071629
H 3.875855 2.408544 -2.062482
H 4.864306 0.920020 -1.953253
H -1.027399 -4.030163 0.771238
H -4.291282 2.272351 -2.501953
H -4.569026 0.550309 -2.005107
H -5.982370 0.277537 0.022863
H -6.562462 1.835100 0.750289
H 4.255784 1.642835 1.961258
H 5.318410 0.175314 2.020950
H 6.201339 2.727374 -0.916342
H 4.802007 3.234145 0.119903
H 0.011388 2.464996 -1.087160
H -0.492625 2.582179 0.609405
H 1.222226 2.399505 0.200691
H 2.029515 -4.168839 0.298840
H 1.012584 -5.424904 1.007006
H 1.250303 -3.888722 1.855616
H -1.164919 -3.925440 -1.749858
H -0.462221 -5.449300 -1.182762
H 0.572327 -4.197576 -1.874378
H -1.983195 -2.988011 1.442882


%chk=000244356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244356

0 1
O -5.647992 2.056003 -0.846598
O 5.931258 1.475295 0.608301
O -2.116095 -1.907372 1.453294
N -3.334246 0.870928 0.446495
N 3.297484 1.009451 -0.532399
C -0.977808 0.025574 0.600132
C 1.100325 -0.210671 -0.700015
C -2.094930 0.812100 1.272266
C 2.295592 0.375557 -1.440051
C 0.111919 0.627328 -0.090273
C -0.091757 -2.245378 0.067385
C -1.046546 -1.397933 0.687445
C -3.192250 1.678489 -0.788215
C -4.505195 1.322330 1.235975
C 0.967617 -1.611215 -0.622542
C 3.914001 0.038240 0.407352
C 4.352467 1.728616 -1.293241
C -0.156059 -3.775779 0.142333
C -4.482281 1.591339 -1.618340
C -5.778134 1.245462 0.377252
C 4.876701 0.767581 1.356064
C 5.313464 2.434557 -0.321535
C 0.265556 2.135768 -0.221033
C 1.028552 -4.351822 0.964791
C -0.225326 -4.419232 -1.267919
H -2.369351 0.293965 2.208043
H -1.746965 1.835728 1.550903
H 2.771821 -0.431024 -2.053567
H 1.967836 1.162877 -2.147189
H -2.979016 2.754841 -0.556499
H -2.348588 1.281774 -1.381753
H -4.617064 0.661671 2.116720
H -4.378505 2.373445 1.605029
H 1.730798 -2.232355 -1.109281
H 4.477044 -0.757390 -0.145771
H 3.116518 -0.453776 0.992318
H 3.873263 2.480059 -1.950549
H 4.939325 1.028232 -1.940951
H -1.086592 -4.091591 0.666906
H -4.434217 2.249142 -2.502354
H -4.643647 0.539697 -1.940077
H -5.974076 0.186236 0.103368
H -6.648134 1.659641 0.913763
H 4.307474 1.493605 1.976015
H 5.407727 0.056164 2.009896
H 6.151814 2.904422 -0.862204
H 4.758649 3.208355 0.252576
H -0.006230 2.473828 -1.241549
H -0.368548 2.694778 0.483259
H 1.319179 2.416723 -0.048747
H 1.991795 -4.111436 0.478562
H 0.954080 -5.452336 1.044940
H 1.051835 -3.927467 1.984601
H -1.088874 -4.035261 -1.839355
H -0.316271 -5.518598 -1.190390
H 0.688625 -4.198010 -1.848704
H -2.105226 -2.896956 1.441412


