%chk=000241694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241694

0 1
O 3.363861 1.042914 1.552812
O 3.907202 -2.959171 -1.299935
N 2.644512 1.908371 -0.474242
N 3.100853 -1.728157 0.497260
N 1.319588 1.786574 -0.120045
N 1.785645 -1.970584 0.176513
C 5.624074 0.368948 -0.525492
C 5.841505 -0.628668 0.623613
C 5.052921 1.706622 -0.033861
C 5.528848 -2.071255 0.227501
C 3.631737 1.511729 0.465361
C 4.118673 -2.312941 -0.298378
C -1.973556 1.404954 -1.533060
C -1.560250 -1.156833 1.437258
C -3.343976 1.387534 -1.161590
C -2.921492 -1.446541 1.155299
C -1.017796 1.960397 -0.609251
C -0.554917 -1.544093 0.477714
C -1.599214 0.854820 -2.800308
C -1.243742 -0.496290 2.667438
C -3.739593 1.894369 0.117607
C -3.270484 -2.094790 -0.072044
C -1.428660 2.427917 0.621451
C -0.927949 -2.170629 -0.694480
C -4.311965 0.851107 -2.069952
C -3.929918 -1.086011 2.106052
C 0.403247 2.052763 -1.008690
C 0.864489 -1.259310 0.770105
C -2.803389 2.392222 0.987184
C -2.295925 -2.443613 -0.971741
C -2.546725 0.340953 -3.650489
C -2.228519 -0.159507 3.561979
C -3.923408 0.343750 -3.284007
C -3.591900 -0.461363 3.279846
H 4.955417 -0.061186 -1.299667
H 6.584498 0.553011 -1.047243
H 6.891787 -0.570053 0.974416
H 5.232531 -0.340354 1.510273
H 5.664148 2.099335 0.809641
H 5.133509 2.473876 -0.826605
H 5.705361 -2.750384 1.088953
H 6.236676 -2.414818 -0.560013
H -0.546510 0.831828 -3.077370
H -0.199509 -0.257716 2.880074
H -4.793959 1.864337 0.388303
H -4.319362 -2.301492 -0.274752
H 2.919405 2.201943 -1.418934
H 3.345993 -1.070367 1.260532
H -0.704732 2.825780 1.334869
H -0.171923 -2.474684 -1.423356
H -5.359834 0.851587 -1.773852
H -4.967564 -1.321541 1.877129
H 0.572244 2.353447 -2.054171
H 1.047768 -0.436546 1.488903
H -3.091046 2.760427 1.971218
H -2.548962 -2.934289 -1.910490
H -2.261913 -0.081014 -4.613060
H -1.984506 0.339637 4.497687
H -4.652838 -0.066393 -3.980137
H -4.351655 -0.189256 4.009524


%chk=000241694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241694

0 1
O 2.507196 0.059471 0.062787
O 5.285023 -3.668082 2.233180
N 2.002835 1.445670 -1.745172
N 3.639408 -2.108512 1.612783
N 0.648102 1.515885 -1.442255
N 2.591338 -2.874077 2.112332
C 5.133852 -0.518276 -0.920004
C 5.626811 -0.271041 0.530894
C 4.319323 0.660898 -1.503929
C 6.047225 -1.565893 1.263523
C 2.878748 0.684712 -0.971898
C 4.959120 -2.555854 1.735690
C -2.336377 3.354184 -2.747603
C -1.100939 -2.430535 2.500666
C -3.778695 3.340682 -2.574875
C -2.239333 -3.189451 2.990447
C -1.546612 2.354927 -2.048844
C 0.204016 -3.069255 2.473889
C -1.773086 4.367329 -3.595530
C -1.326298 -1.072155 2.087811
C -4.383462 2.361358 -1.722164
C -2.056298 -4.538884 3.434433
C -2.189158 1.416954 -1.214031
C 0.333328 -4.397019 2.931780
C -4.583095 4.313027 -3.257584
C -3.533932 -2.571320 3.037639
C -0.090216 2.282474 -2.222547
C 1.385015 -2.347506 1.979240
C -3.600000 1.419178 -1.049421
C -0.788183 -5.128027 3.408022
C -2.582336 5.302024 -4.247041
C -2.597739 -0.495190 2.155443
C -4.001997 5.276406 -4.081682
C -3.715696 -1.249066 2.632075
H 4.519189 -1.436777 -0.963290
H 6.012207 -0.700574 -1.568137
H 6.500744 0.409852 0.496009
H 4.852758 0.261673 1.114691
H 4.814152 1.620347 -1.245871
H 4.298130 0.604882 -2.610508
H 6.618267 -1.310859 2.177766
H 6.743060 -2.156249 0.636608
H -0.689101 4.432115 -3.734040
H -0.493186 -0.461294 1.726492
H -5.473946 2.361203 -1.608494
H -2.925531 -5.099305 3.798948
H 2.380562 1.935114 -2.572437
H 3.417898 -1.223963 1.114190
H -1.577382 0.664487 -0.706758
H 1.328229 -4.852900 2.907797
H -5.669988 4.285734 -3.115957
H -4.381140 -3.159819 3.410384
H 0.365216 2.868026 -3.044459
H 1.241277 -1.369382 1.493871
H -4.065694 0.665510 -0.406113
H -0.651765 -6.158925 3.752486
H -2.126590 6.065086 -4.887593
H -2.735913 0.550929 1.858584
H -4.624260 6.014817 -4.598095
H -4.706281 -0.783462 2.685171


