%chk=000257720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257720

0 1
O 0.899912 0.098218 0.000342
O -5.141580 -1.461444 -0.045354
O -5.373589 0.680865 -0.004092
N -4.680509 -0.326336 -0.021972
C -2.574258 1.071218 0.010920
C -0.445107 -0.100021 -0.006706
C 1.786412 -1.076187 -0.019741
C -1.179380 1.101422 0.015076
C -3.227000 -0.193429 -0.015606
C 3.160753 -0.470575 -0.004100
C -1.085472 -1.357117 -0.032968
C -2.470028 -1.386628 -0.037081
C -3.336050 2.344949 0.034034
C 3.803236 -0.157775 -1.211139
C 3.800681 -0.214443 1.217559
C 5.087038 0.394205 -1.193642
C 5.084519 0.337623 1.228504
C 5.729131 0.639937 0.024499
H 1.576679 -1.652617 -0.938264
H 1.571311 -1.687749 0.874493
H -0.637324 2.047038 0.035095
H -0.521674 -2.283600 -0.049677
H -3.002569 -2.347932 -0.057307
H -4.008997 2.430217 -0.839744
H -4.013393 2.395889 0.907084
H -2.700202 3.238511 0.053192
H 3.301522 -0.336615 -2.161322
H 3.297078 -0.437397 2.157349
H 5.586243 0.636396 -2.130974
H 5.581782 0.535740 2.177152
H 6.729833 1.069936 0.035588


%chk=000257720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257720

0 1
O 0.887160 0.222965 0.005133
O -5.184916 -1.656576 -0.054428
O -5.542116 0.589881 -0.007843
N -4.749522 -0.434937 -0.027014
C -2.705571 1.092231 0.011881
C -0.485481 -0.013679 -0.003773
C 1.799057 -0.962344 -0.016072
C -1.296004 1.149454 0.017737
C -3.288049 -0.217686 -0.017371
C 3.217545 -0.450072 -0.003113
C -1.089109 -1.300275 -0.032147
C -2.488540 -1.385259 -0.038755
C -3.477827 2.397367 0.036620
C 3.891023 -0.172419 -1.218823
C 3.888030 -0.225193 1.225060
C 5.212473 0.325325 -1.208278
C 5.209509 0.272503 1.239387
C 5.874135 0.548437 0.021762
H 1.586640 -1.549372 -0.931063
H 1.582595 -1.584580 0.874347
H -0.791182 2.120075 0.039721
H -0.494529 -2.216694 -0.048745
H -2.993364 -2.354440 -0.060664
H -4.137245 2.494164 -0.842403
H -4.143022 2.457325 0.914590
H -2.775973 3.248026 0.056703
H 3.377178 -0.340998 -2.172959
H 3.371846 -0.434928 2.169741
H 5.724859 0.537286 -2.152925
H 5.719490 0.443322 2.193618
H 6.899908 0.933392 0.031277


