%chk=000239453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239453

0 1
O 1.434806 1.323995 -0.308817
O 1.819731 -0.889900 -0.404355
O 1.226923 2.512421 1.597854
O 3.749838 -0.584152 0.748062
C -4.611358 -0.902754 0.065529
C -3.114724 -0.658717 0.126654
C -0.351897 -0.195418 0.274828
C -2.248758 -1.227440 -0.819492
C -2.584878 0.151228 1.144900
C 1.118517 0.079798 0.394677
C -5.190552 -0.355552 -1.244903
C -4.917952 -2.395952 0.234373
C -0.873949 -0.994334 -0.749649
C -1.211896 0.384595 1.220068
C 1.508574 2.494621 0.424419
C 3.175343 -1.116304 -0.164652
C 1.967574 3.594260 -0.491325
C 3.659322 -2.079311 -1.211720
C 1.248173 4.897918 -0.176126
C 4.643273 -3.076009 -0.616221
H -5.103400 -0.354950 0.911810
H -2.649939 -1.852489 -1.615129
H -3.245789 0.603899 1.882428
H 1.528721 0.122725 1.427412
H -4.947169 0.705708 -1.372761
H -6.281388 -0.451942 -1.265204
H -4.798920 -0.886804 -2.119332
H -4.516434 -2.992645 -0.592011
H -5.997760 -2.575462 0.272771
H -4.481967 -2.787521 1.160898
H -0.198791 -1.431701 -1.487386
H -0.804992 1.026891 2.006536
H 1.812992 3.300493 -1.553851
H 3.068322 3.710530 -0.370299
H 4.135507 -1.492848 -2.029876
H 2.798683 -2.603012 -1.685083
H 0.175164 4.834414 -0.398835
H 1.659657 5.727958 -0.762692
H 1.342512 5.162211 0.887794
H 4.160505 -3.740196 0.112462
H 5.086077 -3.707737 -1.395842
H 5.466701 -2.567019 -0.093111


%chk=000239453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239453

0 1
O 1.305509 1.229344 -0.511312
O 1.700746 -1.075870 -0.367967
O 1.253166 2.497643 1.453281
O 3.665979 -0.336859 0.669222
C -4.844758 -0.983206 0.060447
C -3.333743 -0.743134 0.110163
C -0.516091 -0.290464 0.213394
C -2.478564 -1.212385 -0.923496
C -2.746598 -0.043231 1.193999
C 0.960026 0.000992 0.282351
C -5.491744 -0.288045 -1.167725
C -5.185230 -2.497522 0.080054
C -1.088454 -0.990209 -0.877268
C -1.353793 0.182262 1.250502
C 1.491095 2.413103 0.228933
C 3.094895 -1.126547 -0.107316
C 2.004543 3.517667 -0.678175
C 3.722405 -2.253145 -0.906115
C 1.953745 4.905593 -0.014865
C 5.200008 -2.488930 -0.547163
H -5.283881 -0.529510 0.971915
H -2.903699 -1.758920 -1.773831
H -3.386909 0.327377 2.003691
H 1.326788 0.167497 1.311175
H -5.285025 0.797185 -1.167847
H -6.587972 -0.433778 -1.162267
H -5.100208 -0.706878 -2.113445
H -4.789420 -3.006810 -0.818335
H -6.280731 -2.647387 0.097087
H -4.753037 -2.993388 0.967697
H -0.437925 -1.363883 -1.673968
H -0.916899 0.737170 2.088890
H 1.424671 3.489507 -1.618945
H 3.044045 3.252669 -0.956230
H 3.609074 -1.998916 -1.978498
H 3.113377 -3.163429 -0.751028
H 0.915455 5.195507 0.222303
H 2.382624 5.667745 -0.688949
H 2.522834 4.910366 0.929912
H 5.310637 -2.779037 0.511764
H 5.621884 -3.293181 -1.174823
H 5.795574 -1.573469 -0.702408


