%chk=000202157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202157

0 1
O -3.495671 -1.453870 0.584477
N -2.289632 0.456650 0.408308
C 0.086589 -0.024522 1.129898
C 0.477631 1.236443 0.392086
C -1.405173 0.054029 1.529671
C 0.520167 -1.271498 0.377911
C -0.465128 2.046667 -0.251521
C 1.836835 1.617218 0.385909
C -1.936402 1.711100 -0.295555
C 2.835436 0.707806 1.041413
C 1.859208 -1.480193 -0.014314
C 3.035119 -0.555558 0.198396
C -0.055797 3.233736 -0.885798
C 2.237153 2.797791 -0.244902
C -0.421791 -2.280517 0.108522
C 1.286643 3.606241 -0.878653
C 2.197053 -2.670063 -0.694530
C -3.310605 -0.401482 -0.015488
C -0.074471 -3.452294 -0.561025
C 1.246139 -3.647852 -0.972793
C -4.176162 0.034997 -1.162864
H 0.654679 -0.047890 2.108633
H -1.757537 -0.925413 1.940124
H -1.519585 0.805045 2.345095
H -2.517454 2.547582 0.167468
H -2.249837 1.647838 -1.365864
H 3.811801 1.215354 1.177052
H 2.500861 0.439222 2.067307
H 3.862375 -1.143686 0.655132
H 3.405613 -0.246781 -0.806987
H -0.787576 3.865314 -1.384851
H 3.285091 3.089388 -0.249442
H -1.463362 -2.170407 0.433966
H 1.599343 4.526612 -1.369357
H 3.226822 -2.832683 -1.010729
H -0.831402 -4.209266 -0.757743
H 1.529698 -4.555703 -1.500430
H -4.685527 0.986641 -0.967533
H -4.961341 -0.721136 -1.336149
H -3.610709 0.127339 -2.099641


%chk=000202157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202157

0 1
O -3.633528 -1.453503 0.664783
N -2.255461 0.391474 0.333629
C 0.087213 -0.037168 1.127195
C 0.490776 1.248142 0.398261
C -1.411251 0.045557 1.495798
C 0.532240 -1.309829 0.366772
C -0.474753 2.053470 -0.254306
C 1.857833 1.649326 0.404186
C -1.951746 1.672908 -0.325573
C 2.884885 0.735061 1.043634
C 1.898728 -1.523722 -0.001281
C 3.086349 -0.573779 0.236687
C -0.076715 3.262742 -0.878286
C 2.237613 2.856311 -0.223100
C -0.421052 -2.316553 0.051910
C 1.271774 3.667762 -0.862665
C 2.241334 -2.729216 -0.672637
C -3.368891 -0.384004 0.024748
C -0.058377 -3.505372 -0.614562
C 1.287119 -3.716481 -0.984257
C -4.252415 0.085462 -1.129120
H 0.621598 -0.045388 2.100270
H -1.800673 -0.892517 1.920007
H -1.527073 0.838863 2.263089
H -2.555948 2.492487 0.125574
H -2.244144 1.610521 -1.388762
H 3.860701 1.252252 1.101082
H 2.601590 0.488509 2.085800
H 3.889116 -1.157916 0.730625
H 3.487749 -0.291484 -0.758461
H -0.829063 3.886156 -1.378541
H 3.290637 3.161965 -0.211612
H -1.469935 -2.189455 0.334977
H 1.570420 4.604919 -1.344958
H 3.291160 -2.889327 -0.952507
H -0.823773 -4.257202 -0.836540
H 1.589222 -4.634368 -1.500987
H -4.570839 1.137775 -1.019271
H -5.143603 -0.558626 -1.147250
H -3.729723 -0.013554 -2.099150


