%chk=000228851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228851

0 1
O 3.125772 0.597505 1.108841
O 2.446782 -2.354467 0.605770
O 2.660504 -1.565191 -1.474532
C 2.052055 -0.023586 0.346617
C 2.716507 1.265193 -0.143182
C 0.698320 -0.066977 1.018340
C 3.738896 1.196544 -1.240511
C 2.023629 2.583441 0.044009
C -0.439611 -0.011436 -0.006696
C 2.430666 -1.335144 -0.310152
C -1.809035 -0.052465 0.683303
C -2.951314 0.003224 -0.340007
C -4.321880 -0.036361 0.348763
C -5.466102 0.018415 -0.673390
C -6.832808 -0.020184 0.006610
H 0.619341 0.772228 1.741781
H 0.625311 -0.987438 1.639528
H 4.666983 0.717445 -0.890220
H 4.014022 2.184816 -1.626817
H 3.378545 0.596032 -2.093839
H 1.426474 2.848460 -0.838504
H 2.752009 3.390577 0.211955
H 1.352987 2.584258 0.915539
H -0.351031 0.906884 -0.619989
H -0.351581 -0.856098 -0.718983
H -1.896768 -0.972462 1.293983
H -1.900501 0.790593 1.395207
H -2.864899 0.920934 -0.953180
H -2.862896 -0.842233 -1.049808
H -4.411101 -0.954236 0.961282
H -4.413561 0.807752 1.058942
H 2.700728 -3.228414 0.198356
H -5.378022 -0.827848 -1.382706
H -5.379898 0.936728 -1.286620
H -7.642877 0.018642 -0.730312
H -6.969110 0.826845 0.688499
H -6.966737 -0.936677 0.592523


%chk=000228851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228851

0 1
O 3.145694 0.616191 1.250992
O 3.839044 -1.747422 -0.017661
O 1.652361 -2.319185 -0.504535
C 2.077681 -0.112298 0.468551
C 2.723525 1.159023 -0.098161
C 0.669833 -0.100778 1.071123
C 3.790844 1.096025 -1.182146
C 1.971431 2.483534 -0.042930
C -0.469596 -0.013510 0.026249
C 2.470130 -1.471465 -0.071162
C -1.865936 -0.040632 0.687001
C -3.020169 0.057561 -0.335432
C -4.420115 -0.001818 0.316150
C -5.575665 0.096775 -0.705853
C -6.970643 0.027474 -0.047606
H 0.608165 0.748209 1.775862
H 0.534294 -1.019777 1.673281
H 4.404648 0.188611 -1.089371
H 4.455254 1.975242 -1.097218
H 3.324690 1.119973 -2.185019
H 1.495589 2.699060 -1.016920
H 2.690803 3.295593 0.169599
H 1.199421 2.501206 0.740574
H -0.363437 0.917556 -0.566221
H -0.378134 -0.859975 -0.678648
H -1.974406 -0.978722 1.270396
H -1.949960 0.792111 1.417148
H -2.922958 1.002817 -0.909967
H -2.924468 -0.765904 -1.073461
H -4.518709 -0.948870 0.887124
H -4.517051 0.818890 1.057770
H 3.982262 -2.670658 -0.365443
H -5.474823 -0.721302 -1.448224
H -5.479808 1.044835 -1.273881
H -7.778470 0.097779 -0.799257
H -7.109363 0.853105 0.675907
H -7.102158 -0.923956 0.501789


