%chk=000239304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239304

0 1
O 3.532883 1.351390 0.265154
O 5.345209 -3.124657 0.694261
N 4.800505 -0.487955 -0.194081
N 5.564242 1.627690 -1.024707
C -3.200331 1.007911 0.359887
C -1.843338 1.035361 -0.356292
C -4.240125 0.211639 -0.440157
C -0.803205 1.831178 0.443767
C -5.597275 0.183579 0.275801
C 0.553148 1.853639 -0.272184
C -6.637103 -0.612804 -0.524110
C 1.594482 2.649404 0.523994
C -7.994101 -0.640728 0.191690
C 2.966674 2.632180 -0.144891
C -9.035250 -1.437253 -0.607400
C 4.050349 -1.062672 0.966566
C 6.182340 -1.054082 -0.317359
C 4.010888 -2.589773 0.801326
C 6.065952 -2.580841 -0.431246
C 4.711616 0.921708 -0.357353
C -10.388013 -1.468438 0.100528
H -3.084965 0.567505 1.369067
H -3.561980 2.041633 0.521960
H -1.959795 1.474883 -1.365799
H -1.482778 0.001081 -0.518721
H -4.356452 0.651606 -1.449407
H -3.879232 -0.822353 -0.602509
H -1.163873 2.865461 0.604469
H -0.689715 1.391141 1.453564
H -5.481673 -0.256762 1.284947
H -5.958991 1.217239 0.438013
H 0.921981 0.818319 -0.423467
H 0.438277 2.283652 -1.285692
H -6.753092 -0.172789 -1.533340
H -6.275910 -1.646695 -0.686150
H 1.262460 3.697555 0.656765
H 1.689330 2.225250 1.547187
H -8.356981 0.392279 0.354319
H -7.880017 -1.080638 1.201009
H 2.912747 2.668436 -1.245802
H 3.627852 3.428716 0.237744
H -8.674428 -2.471892 -0.769051
H -9.152128 -0.996900 -1.616956
H 3.015919 -0.644268 0.970344
H 4.519247 -0.790076 1.936791
H 6.821364 -0.773156 0.547581
H 6.665232 -0.630732 -1.230529
H 3.623535 -3.093268 1.704783
H 3.428050 -2.891980 -0.086893
H 5.560566 -2.886658 -1.364508
H 7.048918 -3.077540 -0.346431
H -10.792648 -0.459925 0.242537
H -11.124047 -2.038842 -0.476910
H -10.315161 -1.934020 1.089947
H 5.389442 2.604963 -1.213257


%chk=000239304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239304

0 1
O 3.495493 1.189112 0.206090
O 5.638699 -3.224579 0.377069
N 5.160862 -0.402464 0.195828
N 5.633062 1.610621 -0.937838
C -3.304499 1.039979 0.309309
C -1.895443 0.943779 -0.318102
C -4.352447 0.152392 -0.399141
C -0.853186 1.847282 0.378362
C -5.757673 0.236197 0.238597
C 0.560630 1.729752 -0.233402
C -6.809164 -0.640958 -0.477892
C 1.586759 2.660672 0.449180
C -8.211946 -0.566220 0.166371
C 3.003211 2.542966 -0.120632
C -9.264933 -1.437869 -0.555645
C 4.357813 -1.222502 1.121401
C 6.502752 -0.939499 -0.100974
C 4.291254 -2.670150 0.594334
C 6.376000 -2.391340 -0.594010
C 4.815119 0.870296 -0.231590
C -10.661525 -1.362872 0.098822
H -3.247941 0.755750 1.381066
H -3.644683 2.096693 0.286247
H -1.953990 1.213652 -1.393384
H -1.549669 -0.110525 -0.281462
H -4.417478 0.444818 -1.468219
H -4.007652 -0.902961 -0.386891
H -1.192348 2.903567 0.325705
H -0.807395 1.589508 1.457279
H -5.694161 -0.065721 1.305134
H -6.099122 1.292750 0.235409
H 0.913507 0.682928 -0.157670
H 0.513294 1.968921 -1.316657
H -6.878422 -0.333510 -1.542547
H -6.464407 -1.696465 -0.481966
H 1.263007 3.715797 0.335930
H 1.623147 2.452572 1.536328
H -8.556449 0.489355 0.175861
H -8.145231 -0.879898 1.229363
H 2.996572 2.679341 -1.222481
H 3.681001 3.295189 0.331544
H -8.917565 -2.491337 -0.569061
H -9.334329 -1.120664 -1.616352
H 3.347946 -0.795926 1.212688
H 4.832786 -1.225564 2.126189
H 7.126197 -0.914554 0.817842
H 6.969407 -0.290091 -0.859259
H 3.815498 -3.337614 1.332159
H 3.718070 -2.695472 -0.358256
H 5.852192 -2.411273 -1.574230
H 7.366251 -2.865708 -0.692715
H -11.043716 -0.324403 0.098567
H -11.395652 -1.993262 -0.436103
H -10.624655 -1.704996 1.150453
H 5.265753 2.522209 -1.247847


