%chk=000240927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240927

0 1
O 5.466553 -2.116961 -0.956610
O -5.417854 -2.399637 -0.112597
O 3.990574 -1.674327 -2.474438
O -3.942043 -2.574961 1.458866
N 0.957774 1.781040 -0.495173
N -0.984339 1.441321 1.038738
N 4.473973 -1.536813 -1.362658
N -4.433515 -2.012674 0.494020
C -0.021139 2.391247 0.434676
C 2.036791 1.006618 -0.000038
C -2.050238 0.908974 0.270930
C 2.672692 0.101729 -0.878123
C -2.665589 -0.283201 0.711899
C 2.545075 1.181514 1.307421
C -2.566492 1.581773 -0.860019
C 3.800035 -0.588661 -0.430254
C -3.781119 -0.758480 0.020766
C 3.670984 0.472433 1.721712
C -3.680194 1.075918 -1.527868
C 4.313849 -0.422852 0.859853
C -4.302697 -0.101019 -1.098030
H -0.574732 3.183531 -0.133297
H 0.519479 2.900622 1.274352
H 0.547285 1.442862 -1.369667
H -0.564171 0.789841 1.707016
H 2.307458 -0.057763 -1.896903
H -2.293604 -0.829295 1.583757
H 2.071367 1.884719 1.991587
H -2.108855 2.508544 -1.204451
H 4.059716 0.617085 2.732126
H -4.075214 1.604711 -2.398101
H 5.197839 -0.981501 1.179443
H -5.177048 -0.502237 -1.617836


%chk=000240927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240927

0 1
O 5.896906 -1.712294 -1.209881
O -5.848882 -2.141611 0.286357
O 4.589662 -0.815200 -2.846828
O -4.539706 -1.955980 2.142359
N 0.984451 1.745326 -0.465571
N -1.010193 1.426227 0.993022
N 4.887749 -1.012482 -1.605260
N -4.847779 -1.640882 0.927827
C -0.019345 2.340843 0.419969
C 2.064485 0.968177 -0.031397
C -2.078432 0.866071 0.282602
C 2.914068 0.362470 -0.998801
C -2.907187 -0.095744 0.924841
C 2.365046 0.773020 1.350969
C -2.386815 1.236329 -1.061662
C 4.016962 -0.395572 -0.569102
C -3.998844 -0.640590 0.226864
C 3.483634 0.008074 1.743231
C -3.493671 0.669705 -1.728205
C 4.332717 -0.593981 0.793198
C -4.322716 -0.281183 -1.100045
H -0.538720 3.127269 -0.155204
H 0.488617 2.842966 1.262054
H 0.796275 1.753917 -1.467840
H -0.815636 1.035800 1.914891
H 2.733801 0.474125 -2.072777
H -2.719527 -0.421910 1.952810
H 1.735461 1.219520 2.126769
H -1.772476 1.970423 -1.592061
H 3.690994 -0.123027 2.810456
H -3.707643 0.973959 -2.758160
H 5.200388 -1.193939 1.074078
H -5.181041 -0.735727 -1.598404


