%chk=000252539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252539

0 1
O 2.962309 3.203323 -0.592093
N -4.614717 0.691925 0.456103
N -0.236370 -0.699428 -0.025168
N 3.740055 -2.162480 0.611425
C -2.429119 -0.661729 -1.156022
C -0.968479 -1.146574 -1.256755
C -3.181671 -1.319242 0.005419
C -4.614978 -0.776844 0.144116
C -0.314322 -0.608921 -2.539218
C 1.098605 -1.198825 0.133477
C -4.068141 0.954029 1.830222
C -5.992408 1.269515 0.301362
C 2.229136 -0.289969 0.069503
C 1.328116 -2.532308 0.447979
C -3.671810 2.424844 1.967540
C -6.339734 1.411101 -1.181924
C 3.525573 -0.817703 0.323408
C 2.101498 1.090129 -0.240554
C 2.684475 -2.962542 0.665096
C 0.241080 -3.541475 0.598950
C 4.673782 0.039960 0.279684
C 3.233000 1.887501 -0.276760
C 4.537032 1.372723 -0.013790
C 4.070450 4.131654 -0.654943
H -2.949341 -0.868119 -2.110292
H -2.472816 0.442015 -1.035946
H -0.947374 -2.266452 -1.284049
H -2.619627 -1.149809 0.950219
H -3.221386 -2.415531 -0.133444
H -5.162916 -1.375389 0.903839
H -5.154201 -0.918685 -0.819344
H -0.278655 0.324923 0.067449
H -0.348546 0.484502 -2.595553
H 0.740801 -0.902083 -2.604385
H -0.814347 -0.994968 -3.433456
H -3.158213 0.320772 1.964393
H -4.775266 0.669595 2.638180
H -6.000208 2.279109 0.771620
H -6.771855 0.672728 0.822013
H -3.033850 2.735997 1.129170
H -4.544062 3.087926 1.967569
H -3.116503 2.596453 2.895013
H -5.536152 1.931701 -1.720696
H -6.471407 0.438154 -1.667884
H -7.262546 1.983509 -1.316684
H 1.127710 1.528092 -0.450703
H 2.877385 -4.018276 0.897625
H 0.516635 -4.346986 1.292189
H -0.679943 -3.080865 0.994261
H -0.009297 -4.006956 -0.364905
H 5.651679 -0.401860 0.487435
H 5.404048 2.025776 -0.046243
H 4.557039 4.211869 0.321207
H 4.771355 3.836881 -1.440915
H 3.560299 5.068613 -0.916137


%chk=000252539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252539

0 1
O 0.623433 3.616618 -0.651952
N -2.978091 0.730271 0.550938
N -0.927271 -1.224842 -0.390661
N 3.259229 -1.200829 0.642996
C -3.059131 -1.688754 -1.544891
C -1.634226 -2.215250 -1.238085
C -3.974243 -1.458698 -0.308120
C -4.200551 0.032271 0.037155
C -0.871006 -2.482806 -2.558320
C 0.429725 -1.255998 -0.061183
C -2.814017 0.408622 2.010323
C -3.031166 2.213024 0.326159
C 1.177502 0.001711 -0.031235
C 1.140472 -2.441319 0.276148
C -1.530479 0.947224 2.665988
C -3.091651 2.630208 -1.155175
C 2.575048 -0.026797 0.346591
C 0.589110 1.253736 -0.374528
C 2.534106 -2.333857 0.590734
C 0.481355 -3.797193 0.444723
C 3.300334 1.202449 0.407049
C 1.327049 2.442633 -0.302236
C 2.699427 2.426081 0.099176
C 1.362891 4.879623 -0.630523
H -3.530323 -2.424080 -2.224388
H -2.966021 -0.744650 -2.120460
H -1.749554 -3.180206 -0.701724
H -3.567019 -1.999816 0.568034
H -4.972864 -1.898080 -0.500467
H -5.032605 0.122665 0.778020
H -4.535436 0.543663 -0.881662
H -1.475592 -0.358445 -0.192990
H -0.840608 -1.567366 -3.177848
H 0.170991 -2.792240 -2.366550
H -1.368917 -3.282951 -3.137427
H -2.815576 -0.693084 2.098779
H -3.704540 0.781005 2.576818
H -2.112608 2.641941 0.761683
H -3.896514 2.660636 0.876923
H -0.632317 0.644067 2.103390
H -1.527313 2.047553 2.753595
H -1.446866 0.536109 3.688759
H -2.292344 2.138564 -1.737561
H -4.061526 2.399552 -1.630470
H -2.934755 3.720911 -1.232643
H -0.448891 1.314460 -0.709440
H 3.075275 -3.255663 0.847536
H 1.181630 -4.498847 0.931653
H -0.419451 -3.722050 1.082694
H 0.169335 -4.258335 -0.512294
H 4.351765 1.143887 0.705521
H 3.283342 3.349305 0.157808
H 1.732756 5.117269 0.386280
H 2.214386 4.863974 -1.338623
H 0.636112 5.643427 -0.945417


