%chk=000242684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242684

0 1
O 3.130622 -1.208033 0.139035
O -1.963571 -2.930484 0.262057
O 3.996991 -3.612814 -0.156398
O 3.375432 -6.243432 -0.400998
N 2.414855 1.284241 0.226317
N -2.909524 -0.526067 0.320212
C 0.842304 -0.586104 0.206705
C -0.523365 -1.050570 0.228226
C 1.638063 -2.992758 -0.001055
C 1.116984 0.796179 0.256884
C -1.577844 -0.124024 0.296024
C 0.303554 -3.464099 0.015611
C 1.931636 -1.552864 0.120712
C -0.815629 -2.494612 0.175948
C 0.014360 1.726267 0.393986
C -1.268260 1.287791 0.412346
C 2.676071 -3.917105 -0.134517
C 0.026798 -4.821072 -0.106348
C 2.380959 -5.316499 -0.263625
C 1.066655 -5.760558 -0.250223
C 2.770246 2.665233 0.055709
C -4.032076 0.334782 0.091772
C 3.747247 3.208543 0.911772
C 2.212571 3.445398 -0.971054
C -5.170314 0.159712 0.904187
C -4.039814 1.288429 -0.940372
C 3.589526 5.325192 -0.276010
C -6.309500 1.916195 -0.333893
C 4.150698 4.530613 0.739424
C 2.620770 4.770749 -1.126438
C -6.297524 0.947344 0.685446
C -5.174056 2.076457 -1.141742
C 4.033909 6.740947 -0.443224
C -7.527747 2.752629 -0.550638
H 0.236728 2.790101 0.518204
H -2.092128 1.994614 0.552837
H -1.013871 -5.162686 -0.088129
H 3.206047 0.607992 0.273583
H -3.116758 -1.546606 0.408442
H 0.851220 -6.824936 -0.348298
H 4.182566 2.601337 1.704892
H 1.478463 3.016289 -1.652290
H -5.167671 -0.585058 1.699443
H -3.175761 1.400989 -1.593690
H 4.144239 -2.582779 -0.047805
H 4.907419 4.952209 1.400576
H 2.186084 5.373878 -1.922856
H -7.178008 0.811426 1.312848
H -5.175340 2.815306 -1.942224
H 4.276408 -5.802816 -0.393949
H 3.465222 7.278287 -1.213325
H 3.925535 7.310584 0.491002
H 5.093919 6.791994 -0.733632
H -7.836454 3.262237 0.373232
H -7.380600 3.529960 -1.311512
H -8.376884 2.136366 -0.881586


%chk=000242684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242684

0 1
O 3.156221 -1.072373 0.135299
O -2.111914 -2.838379 0.139442
O 3.983112 -3.417262 -0.007103
O 3.460896 -6.082311 -0.133323
N 2.388344 1.373875 0.166779
N -2.971621 -0.437796 0.165812
C 0.791383 -0.482993 0.149182
C -0.582216 -0.952936 0.147841
C 1.579483 -2.869965 0.037994
C 1.078065 0.931625 0.192456
C -1.660331 0.001786 0.188444
C 0.231505 -3.350985 0.035145
C 1.875119 -1.447051 0.109078
C -0.883982 -2.394103 0.108442
C -0.024100 1.843604 0.345043
C -1.334770 1.396922 0.344695
C 2.654649 -3.799514 -0.014942
C -0.009236 -4.744532 -0.025566
C 2.390705 -5.197227 -0.079422
C 1.060728 -5.663993 -0.085554
C 2.878597 2.698839 0.017360
C -4.162445 0.316494 0.009998
C 4.099772 3.031767 0.666063
C 2.257557 3.673949 -0.808124
C -5.341328 -0.167126 0.643254
C -4.257086 1.474559 -0.808414
C 4.041897 5.303222 -0.293614
C -6.669968 1.675816 -0.316990
C 4.666704 4.310063 0.507946
C 2.833186 4.954852 -0.947438
C -6.568022 0.501920 0.477347
C -5.492614 2.140728 -0.955118
C 4.662848 6.679198 -0.455137
C -7.999889 2.387973 -0.489852
H 0.183329 2.902033 0.520851
H -2.144307 2.110196 0.520389
H -1.046697 -5.089180 -0.023486
H 3.074645 0.580129 0.210833
H -3.020649 -1.494457 0.207632
H 0.883720 -6.742102 -0.135300
H 4.588772 2.284834 1.301756
H 1.356053 3.421496 -1.374882
H -5.279453 -1.063854 1.270183
H -3.383491 1.827023 -1.365823
H 3.963789 -2.366482 0.051834
H 5.607066 4.545724 1.021090
H 2.340629 5.691248 -1.593696
H -7.462548 0.111249 0.977853
H -5.544514 3.029409 -1.595778
H 4.304576 -5.551820 -0.116063
H 4.016761 7.348089 -1.049083
H 4.836646 7.161118 0.525205
H 5.643307 6.620928 -0.965205
H -8.447349 2.651629 0.486840
H -7.887590 3.319161 -1.071224
H -8.732544 1.749279 -1.019352


