%chk=000243863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243863

0 1
O -0.650363 0.501227 1.173147
O 3.271495 -0.133718 -1.882793
N -2.467266 -0.383837 -0.079384
N 1.910519 -1.407200 -0.494925
N -2.741934 1.453234 1.370507
N 1.920019 0.986352 -0.382060
C -2.516911 -1.881359 0.150285
C 2.742637 -2.559195 -0.007738
C -1.627748 -1.288270 -0.946729
C 1.768889 -1.822629 0.934166
C -3.847615 -2.514604 -0.170293
C -1.837761 -2.460286 1.368138
C 2.338121 -3.903876 -0.565391
C 4.232867 -2.374340 0.128156
C -1.996019 -1.335757 -2.402975
C 2.234073 -0.962172 2.073118
C -1.834391 0.529031 0.848974
C 2.443871 -0.166211 -0.983422
C -2.229938 2.713371 1.964113
C 2.066499 2.298417 -1.063689
C -2.272896 3.900230 0.985805
C 0.702593 2.940588 -1.362404
C -1.498064 3.664128 -0.317631
C -0.005446 3.403536 -0.081905
H -0.530759 -1.299255 -0.782438
H 0.779440 -2.285617 1.142677
H -3.707875 -3.515174 -0.598037
H -4.418913 -1.920563 -0.898890
H -4.475232 -2.609690 0.724482
H -2.371638 -2.196701 2.290307
H -0.796881 -2.098074 1.483753
H -1.794549 -3.554937 1.312156
H 2.546546 -4.705826 0.151353
H 1.270218 -3.942973 -0.820052
H 2.885897 -4.122015 -1.493252
H 4.667026 -2.085936 -0.846288
H 4.503909 -1.580310 0.835304
H 4.730967 -3.292196 0.458106
H -1.823206 -2.340329 -2.811071
H -3.047637 -1.074561 -2.582108
H -1.384768 -0.631487 -2.984767
H 1.458264 -0.219796 2.331134
H 2.431861 -1.565519 2.967364
H 3.148932 -0.398189 1.845157
H -3.676174 1.501122 0.960774
H 1.099013 0.901273 0.239482
H -1.184161 2.546060 2.322369
H -2.847659 2.936584 2.863063
H 2.673220 2.954917 -0.399455
H 2.652213 2.169741 -2.005867
H -3.324118 4.148195 0.739908
H -1.868985 4.793819 1.503221
H 0.066652 2.218596 -1.913889
H 0.843637 3.795876 -2.050164
H -1.945019 2.810341 -0.866724
H -1.625346 4.541628 -0.981253
H 0.484484 4.310685 0.316569
H 0.110812 2.627050 0.708405


%chk=000243863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243863

0 1
O -0.510380 0.425285 1.176075
O 3.506798 0.163240 -2.085624
N -2.272721 -0.590850 -0.031810
N 2.195452 -1.316621 -0.792162
N -2.672743 1.333572 1.240728
N 1.858331 1.013130 -0.646078
C -3.197550 -1.751385 0.326952
C 3.156279 -2.419694 -0.445420
C -1.733403 -1.978740 -0.098931
C 2.187203 -1.860125 0.617350
C -4.347769 -1.992350 -0.640592
C -3.540739 -1.948562 1.801269
C 2.824421 -3.763033 -1.089685
C 4.651114 -2.120064 -0.371133
C -1.271860 -2.510303 -1.442543
C 2.610977 -1.022516 1.812661
C -1.745239 0.384153 0.844810
C 2.600424 -0.013448 -1.208383
C -2.308163 2.553362 1.980875
C 2.078128 2.412401 -1.052614
C -2.345072 3.840946 1.110721
C 0.752496 3.171516 -1.289011
C -1.515403 3.754618 -0.193777
C -0.006365 3.495516 0.023902
H -1.061612 -2.234460 0.735749
H 1.298565 -2.477937 0.815618
H -4.663613 -3.051641 -0.604631
H -4.060905 -1.747624 -1.675447
H -5.222840 -1.371144 -0.371349
H -4.350809 -1.266033 2.121447
H -2.666835 -1.769087 2.452306
H -3.888477 -2.984301 1.970004
H 3.247116 -4.595978 -0.496715
H 1.731970 -3.901898 -1.167112
H 3.246736 -3.815251 -2.110025
H 5.059536 -1.999874 -1.389214
H 4.875693 -1.190905 0.176703
H 5.173413 -2.957689 0.128177
H -1.250768 -3.616477 -1.434553
H -1.930425 -2.179241 -2.262820
H -0.249337 -2.143307 -1.648709
H 1.772582 -0.380650 2.137462
H 2.885165 -1.685680 2.654787
H 3.474004 -0.372923 1.590569
H -3.603053 1.274731 0.822214
H 1.095798 0.780203 0.006185
H -1.295688 2.381857 2.382093
H -2.992101 2.673510 2.843394
H 2.677423 2.947994 -0.284679
H 2.688068 2.376998 -1.972393
H -3.398877 4.079854 0.856880
H -1.979703 4.676843 1.741918
H 0.112822 2.551865 -1.948614
H 0.968969 4.107626 -1.841602
H -1.924002 2.938204 -0.823370
H -1.657990 4.690339 -0.771431
H 0.460462 4.372163 0.518585
H 0.109897 2.643266 0.717389


