%chk=000259588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259588

0 1
O 1.814266 0.363291 2.854894
O 2.851459 1.403827 1.155682
O 5.273641 -2.238644 -0.876719
O -2.282991 0.814701 -2.898828
O -0.219140 0.316079 -2.515695
O -5.036932 0.483170 2.598963
O -5.581015 0.926375 0.550619
N 0.592647 -0.301593 -0.133540
N -1.382785 0.497248 -2.146245
N 5.425130 -0.715359 -2.544028
N -4.777219 0.619611 1.414467
C 1.652892 -0.755673 0.789330
C 2.778823 -1.470557 0.026665
C 3.481369 -0.614881 -1.029623
C -0.701857 -0.060295 0.241176
C 2.201267 0.469140 1.542815
C -1.687446 0.320725 -0.733736
C -1.115173 -0.179763 1.610093
C 4.782686 -1.277425 -1.444208
C -3.022048 0.539506 -0.333134
C -3.386452 0.395943 0.999335
C -2.417655 0.037428 1.979607
H 1.223044 -1.475941 1.550371
H 3.536141 -1.846317 0.758927
H 2.376925 -2.393926 -0.447291
H 0.880121 -0.153847 -1.126851
H 2.825981 -0.452648 -1.909996
H 3.702024 0.405328 -0.628716
H -0.373034 -0.430427 2.374854
H -3.776358 0.826588 -1.090143
H -2.738951 -0.055164 3.026975
H 2.139492 1.115403 3.426046
H 6.304775 -1.099680 -2.857553
H 5.086174 0.088076 -3.039815


%chk=000259588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259588

0 1
O 2.404243 -0.106642 2.975217
O 2.216088 1.498590 1.298843
O 5.607629 -1.617194 -0.562425
O -2.275408 0.679898 -3.016017
O -0.146188 0.019119 -2.564992
O -5.083111 0.810176 2.586381
O -5.598996 1.199449 0.393842
N 0.563972 -0.495613 -0.102834
N -1.367415 0.319631 -2.179361
N 5.289926 -0.625226 -2.634392
N -4.774574 0.864714 1.330471
C 1.618480 -0.880064 0.835830
C 2.831676 -1.474410 0.066365
C 3.432663 -0.543642 -1.010590
C -0.715027 -0.153695 0.239970
C 2.087445 0.319471 1.682271
C -1.695347 0.239559 -0.754483
C -1.158246 -0.179094 1.608458
C 4.862382 -0.988932 -1.370701
C -3.018120 0.572287 -0.395038
C -3.392964 0.520823 0.952178
C -2.464558 0.146698 1.961865
H 1.252231 -1.652399 1.537222
H 3.628104 -1.724731 0.789694
H 2.508811 -2.426941 -0.393013
H 0.774311 -0.405137 -1.111030
H 2.809694 -0.511330 -1.924941
H 3.493619 0.495046 -0.629257
H -0.451661 -0.458875 2.394057
H -3.735691 0.866015 -1.165409
H -2.795904 0.124188 3.003394
H 2.786604 0.647128 3.502084
H 6.245891 -0.851172 -2.909459
H 4.689240 -0.127396 -3.289505


