%chk=000288097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288097

0 1
O 0.256629 2.994046 0.839012
O -0.497441 1.584727 2.594046
O -3.614155 1.204036 1.019960
O -4.248744 1.632720 -1.734821
O 3.016565 -3.430367 0.735410
N 3.439723 -2.101278 -1.076297
C 4.189018 0.134745 -0.203558
C 4.514293 -1.356719 -0.377244
C 2.935919 0.437489 0.573124
C 0.461600 -2.678833 -1.455768
C 1.542864 -3.677746 -1.159834
C -1.224011 -1.090854 -0.703434
C -1.592710 -0.835404 -2.050507
C -0.181177 -2.022568 -0.426931
C 2.234146 1.627923 0.230755
C 2.696687 -3.064240 -0.384490
C 0.091906 -2.422182 -2.809747
C 1.109466 1.906701 0.969527
C -0.907812 -1.524566 -3.097639
C 2.492102 -0.386374 1.607823
C 0.661934 1.058787 2.025529
C -1.908150 -0.410280 0.354125
C -2.637806 0.097810 -2.329221
C 1.333678 -0.091878 2.365191
C -2.914104 0.477977 0.069917
C -3.289764 0.747038 -1.302983
C -0.801469 2.802539 1.832929
C -3.572994 0.705019 2.383629
C -5.107644 2.257652 -0.749401
H 4.141756 0.618219 -1.202730
H 5.045161 0.624982 0.313757
H 4.707388 -1.836542 0.615251
H 5.450507 -1.467801 -0.971392
H 1.122554 -4.513892 -0.550729
H 1.922460 -4.165564 -2.081573
H 0.101685 -2.202233 0.611591
H 3.051020 -1.654102 -1.902718
H 2.565575 2.278256 -0.572216
H 0.606311 -2.950566 -3.609922
H -1.195937 -1.325065 -4.129407
H 3.035257 -1.307485 1.847437
H -1.593953 -0.602410 1.379934
H -2.923949 0.298712 -3.361140
H 1.007206 -0.744905 3.168958
H -1.747745 2.635125 1.292431
H -0.762906 3.648833 2.529726
H -3.955434 -0.318633 2.422389
H -2.551141 0.768387 2.782477
H -4.245395 1.400446 2.898342
H -5.644819 1.496930 -0.175266
H -5.785017 2.841585 -1.383490
H -4.514130 2.902304 -0.091809


%chk=000288097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288097

0 1
O -0.014551 2.617706 -0.214906
O -0.513549 2.435874 2.125704
O -3.559505 0.809859 1.443023
O -3.813253 2.140358 -0.985936
O 3.814245 -4.243489 -1.152855
N 2.881729 -2.226526 -0.458518
C 4.192592 -0.198211 0.160735
C 4.082487 -1.742912 0.236658
C 2.973392 0.520497 0.736006
C 0.411885 -2.745245 -1.789254
C 1.449309 -3.848877 -1.688957
C -1.268710 -1.265891 -0.729042
C -1.440268 -0.559525 -1.980203
C -0.347514 -2.360976 -0.672383
C 2.101624 1.249837 -0.127748
C 2.822882 -3.452514 -1.083801
C 0.227542 -2.037136 -3.024635
C 0.987466 1.869565 0.444947
C -0.679859 -0.979677 -3.118718
C 2.684218 0.444826 2.124375
C 0.704507 1.772816 1.823340
C -1.997791 -0.830780 0.426085
C -2.353080 0.542051 -2.032079
C 1.539441 1.067441 2.693681
C -2.860705 0.265941 0.356123
C -3.050459 0.957826 -0.902503
C -0.880120 3.158319 0.870328
C -3.251407 0.279349 2.776933
C -5.252824 2.029045 -0.659937
H 4.339630 0.096270 -0.894487
H 5.105998 0.097485 0.712239
H 4.061919 -2.064045 1.298821
H 4.957892 -2.227321 -0.230264
H 1.080194 -4.684073 -1.063029
H 1.672219 -4.282299 -2.679763
H -0.231411 -2.903579 0.275387
H 2.036449 -1.649168 -0.420411
H 2.298656 1.326125 -1.201144
H 0.813485 -2.338869 -3.900783
H -0.813343 -0.450453 -4.069665
H 3.366046 -0.105632 2.783087
H -1.836442 -1.355371 1.373255
H -2.492110 1.104925 -2.960881
H 1.325679 1.004290 3.763992
H -1.933437 2.957237 0.627320
H -0.653946 4.233118 1.002641
H -3.530273 -0.788943 2.856864
H -2.179179 0.418618 3.006531
H -3.862438 0.876037 3.469839
H -5.748124 1.330346 -1.361149
H -5.656410 3.043903 -0.796182
H -5.395773 1.692349 0.380323


