%chk=000297714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297714

0 1
O -2.943827 -1.662427 -0.520181
O 2.166988 1.678729 -1.253726
N -0.849224 -1.745307 0.400029
N 2.872715 0.680496 0.684705
C -0.959954 1.265520 0.094871
C -1.704766 2.441783 -0.633159
C -3.405192 1.058751 -0.041016
C -2.141457 0.346118 0.563407
C -2.823744 1.635563 -1.372067
C -2.554470 3.171781 0.411081
C -3.563140 2.352435 0.763104
C -0.070177 1.708244 1.261923
C -2.039674 -1.091934 0.070486
C 1.174409 2.467317 0.793078
C -0.552300 -3.168503 0.006439
C 2.101079 1.592717 -0.037921
C -0.552871 -3.277466 -1.525948
C -1.617791 -4.090616 0.616533
C 0.839957 -3.514550 0.568226
C 3.893865 -0.225483 0.045898
C 3.198650 -1.123847 -0.986236
C 4.513697 -1.078304 1.168891
C 4.971406 0.636288 -0.629664
H -0.335477 0.740546 -0.665749
H -1.057536 3.067188 -1.252916
H -4.285004 0.412599 -0.127343
H -2.225338 0.323869 1.672079
H -3.530419 2.266052 -1.923075
H -2.455491 0.870775 -2.065671
H -2.319856 4.158539 0.751639
H -4.357410 2.498300 1.464852
H -0.648532 2.357391 1.952530
H 0.226875 0.827620 1.863633
H 0.871494 3.333750 0.162244
H 1.707367 2.908290 1.656232
H -0.090883 -1.226674 0.833162
H 0.177913 -2.607427 -1.988461
H -0.334396 -4.296070 -1.857087
H -1.542152 -3.006902 -1.931171
H -2.619670 -3.828982 0.235044
H -1.658578 -4.008162 1.706194
H -1.434931 -5.137726 0.361660
H 1.624696 -2.853275 0.161195
H 1.116914 -4.540032 0.298162
H 0.871072 -3.451166 1.660094
H 2.805819 0.651081 1.696535
H 2.428120 -1.765011 -0.529962
H 2.699149 -0.514902 -1.759044
H 3.914179 -1.772314 -1.499299
H 5.029737 -0.467137 1.916834
H 5.260866 -1.767158 0.755381
H 3.767980 -1.691761 1.684473
H 4.526776 1.261200 -1.421989
H 5.742590 0.019194 -1.099345
H 5.464651 1.310598 0.075917


%chk=000297714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297714

0 1
O -2.876513 -1.635229 -0.933852
O 2.118184 2.164157 -1.105150
N -1.077932 -1.905592 0.528783
N 2.958931 0.796701 0.594939
C -0.874277 1.154396 0.158121
C -1.465800 2.397720 -0.630623
C -3.313682 1.112512 -0.264945
C -2.172933 0.293528 0.454657
C -2.534842 1.664881 -1.499806
C -2.376468 3.171517 0.332211
C -3.481895 2.398735 0.552556
C -0.062387 1.501715 1.424168
C -2.086595 -1.159203 -0.058871
C 1.179420 2.400418 1.155547
C -0.758686 -3.339674 0.235935
C 2.129927 1.796145 0.112857
C -0.404528 -3.508774 -1.264831
C -1.971933 -4.231517 0.609816
C 0.462230 -3.704411 1.115081
C 3.941992 0.005789 -0.214723
C 3.203177 -0.753324 -1.347727
C 4.603422 -1.001191 0.756531
C 5.012337 0.957017 -0.812611
H -0.221877 0.607634 -0.550509
H -0.693129 2.974081 -1.160084
H -4.214637 0.517255 -0.465297
H -2.358988 0.257283 1.547438
H -3.139681 2.360209 -2.105278
H -2.120552 0.867949 -2.141564
H -2.132036 4.128771 0.802166
H -4.307440 2.597241 1.242198
H -0.724076 2.022782 2.143676
H 0.269417 0.566188 1.925834
H 0.851196 3.376712 0.761331
H 1.710898 2.584730 2.110175
H -0.484759 -1.430225 1.213176
H 0.469403 -2.886924 -1.533388
H -0.161049 -4.565557 -1.479299
H -1.258297 -3.205631 -1.892045
H -2.854674 -3.936532 0.019478
H -2.213885 -4.131280 1.683695
H -1.741840 -5.292140 0.400008
H 1.337238 -3.073910 0.862493
H 0.745664 -4.757561 0.947528
H 0.232387 -3.582402 2.190953
H 2.921218 0.595688 1.596979
H 2.442378 -1.438593 -0.929379
H 2.702304 -0.039887 -2.021930
H 3.925501 -1.350002 -1.933903
H 5.124806 -0.480613 1.582506
H 5.350972 -1.607393 0.216784
H 3.855071 -1.693742 1.188417
H 4.532629 1.702548 -1.467375
H 5.742953 0.379228 -1.407406
H 5.556439 1.487373 -0.009941


