%chk=000261847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261847

0 1
O -5.223049 -0.128938 -2.479553
O -5.040445 0.354796 2.143184
O 5.222080 -0.128368 2.479756
O 5.041690 0.355286 -2.143086
N -4.798285 -0.103634 -0.158733
N 4.798440 -0.103172 0.158716
C 0.000259 -3.273505 -0.001238
C -1.249170 -2.435267 -0.053853
C 1.249606 -2.435182 0.052011
C -3.591475 -0.895586 -0.123574
C 3.591723 -0.895247 0.122951
C -6.688246 1.059569 -0.920128
C -6.638074 1.198932 0.492007
C 6.687904 1.060259 0.921028
C 6.638416 1.199592 -0.491133
C -5.525875 0.224757 -1.372077
C -5.435703 0.468469 1.014568
C 5.525438 0.225270 1.372406
C 5.436350 0.469040 -1.014269
C -2.152837 -2.568958 -1.117002
C 2.152680 -2.568692 1.115693
C -1.527518 -1.519579 0.973638
C 1.528450 -1.519554 -0.975387
C -3.322764 -1.809037 -1.157170
C 3.322504 -1.808655 1.156470
C -2.687935 -0.748881 0.945266
C 2.688777 -0.748731 -0.946413
C -7.694983 1.640340 -1.661672
C -7.595235 1.918705 1.174989
C 7.694200 1.641166 1.663063
C 7.595835 1.919458 -1.173654
C -8.679392 2.380791 -0.964948
C -8.631055 2.516062 0.418022
C 8.678873 2.381712 0.966814
C 8.631209 2.516950 -0.416183
H -0.060263 -3.953681 0.877092
H 0.060837 -3.953024 -0.880070
H -1.948596 -3.270510 -1.925141
H 1.948033 -3.270203 1.923769
H -0.824412 -1.403339 1.799471
H 0.825813 -1.403443 -1.801638
H -4.010510 -1.920585 -1.998584
H 4.009788 -1.920093 1.998280
H -2.891814 -0.047404 1.757759
H 2.893026 -0.047287 -1.758844
H -7.735440 1.535667 -2.746820
H -7.559468 2.026841 2.259980
H 7.734142 1.536497 2.748231
H 7.560580 2.027592 -2.258662
H -9.485968 2.849601 -1.531347
H -9.399891 3.090755 0.937429
H 9.485119 2.850618 1.533604
H 9.400231 3.091730 -0.935217


%chk=000261847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261847

0 1
O -5.327764 -0.062842 -2.541800
O -5.262277 0.286932 2.184309
O 5.329618 -0.065591 2.541833
O 5.261523 0.288313 -2.183930
N -4.949137 -0.097175 -0.167999
N 4.950140 -0.098545 0.168127
C 0.000108 -3.146449 -0.000470
C -1.287303 -2.326828 -0.060525
C 1.287726 -2.327177 0.059931
C -3.721691 -0.847766 -0.129981
C 3.722479 -0.848762 0.129999
C -6.865090 1.017394 -0.932398
C -6.843741 1.125207 0.475936
C 6.865686 1.016664 0.932596
C 6.843679 1.125548 -0.475649
C -5.666884 0.241016 -1.373403
C -5.630645 0.421911 0.993458
C 5.668303 0.238950 1.373487
C 5.631414 0.420907 -0.993284
C -2.293769 -2.623465 -1.011293
C 2.294181 -2.624567 1.010477
C -1.524391 -1.269326 0.854775
C 1.525040 -1.269293 -0.854869
C -3.504986 -1.901826 -1.049928
C 3.505588 -1.903262 1.049402
C -2.722018 -0.530114 0.824400
C 2.722859 -0.530409 -0.824190
C -7.894466 1.586813 -1.696811
C -7.852219 1.805568 1.174907
C 7.894733 1.586612 1.697057
C 7.851022 1.807755 -1.174459
C -8.920253 2.278402 -1.001394
C -8.899640 2.385704 0.412937
C 8.919449 2.279939 1.001791
C 8.898099 2.388440 -0.412438
H -0.033545 -3.813975 0.883662
H 0.033598 -3.813608 -0.884885
H -2.133698 -3.433415 -1.733202
H 2.133955 -3.434857 1.731969
H -0.755729 -1.012951 1.592691
H 0.756410 -1.012369 -1.592627
H -4.264139 -2.143389 -1.796920
H 4.264743 -2.145436 1.796189
H -2.886295 0.277074 1.541585
H 2.887343 0.277067 -1.541015
H -7.898310 1.495886 -2.787381
H -7.823816 1.881631 2.266246
H 7.899067 1.494889 2.787558
H 7.822124 1.884624 -2.265729
H -9.741368 2.736777 -1.562753
H -9.705289 2.925187 0.922215
H 9.740254 2.738815 1.563194
H 9.702922 2.929267 -0.921599


