%chk=000226017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226017

0 1
O -0.648562 -2.737645 -0.583437
O -2.010221 0.039579 2.270248
O -4.435450 -1.343838 0.326096
O -5.481322 1.172548 0.602426
O 6.998182 1.333304 0.803619
O -4.621962 1.606797 -1.445987
C -0.159241 -1.446745 -0.063130
C -1.255816 -0.352356 -0.086407
C -0.594445 -2.567232 0.867495
C 1.254673 -1.140400 -0.511683
C -2.224568 -0.768838 1.100841
C 1.697460 0.284088 -0.109940
C -1.951463 -2.245832 1.453093
C -0.686813 1.057477 0.152668
C 0.634683 1.291498 -0.580959
C 3.121235 0.627029 -0.657855
C 2.260125 -2.172327 0.026046
C -1.988665 -0.418105 -1.425745
C 3.662243 -1.898852 -0.521467
C 4.108427 -0.481866 -0.289215
C -3.713804 -0.495106 0.779859
C 3.560871 1.967777 -0.006413
C 3.133409 0.753168 -2.190911
C 5.044844 2.268389 -0.195261
C 5.351381 -0.228527 0.151242
C -4.152409 0.923748 1.105771
C 5.906130 1.129774 0.316045
C -5.598672 1.472052 -0.746709
C -7.039507 1.595965 -1.081963
H 0.062178 -3.256240 1.384823
H 1.243176 -1.209841 -1.634634
H 1.757167 0.324430 1.006815
H -2.730503 -2.901757 0.996465
H -2.007084 -2.419677 2.540789
H -0.545138 1.246401 1.236651
H -1.432235 1.812163 -0.173871
H 0.480561 1.209883 -1.675069
H 0.975733 2.329955 -0.403947
H 1.937923 -3.193569 -0.265838
H 2.279851 -2.154633 1.132526
H -1.302088 -0.241706 -2.262160
H -2.431512 -1.413766 -1.590716
H -2.792683 0.328468 -1.516777
H 3.692392 -2.101757 -1.615442
H 4.378288 -2.621551 -0.076353
H 3.333838 1.942947 1.079028
H 2.957935 2.799055 -0.421223
H -1.122529 -0.132517 2.652445
H 4.155943 0.847648 -2.576029
H 2.679896 -0.120910 -2.672974
H 2.580670 1.636412 -2.529012
H 5.322769 3.210204 0.320527
H 5.285648 2.442102 -1.264213
H 6.049461 -1.025320 0.415269
H -3.443399 1.678052 0.711306
H -4.265122 1.058371 2.202947
H -7.681435 1.624184 -0.185608
H -7.368199 0.732513 -1.686702
H -7.233246 2.503231 -1.675094


%chk=000226017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226017

0 1
O -0.571829 -2.897565 -0.751968
O -1.808538 -0.129887 2.202599
O -4.518184 -1.190089 0.196488
O -5.451881 1.305097 0.945375
O 6.902394 1.578545 1.162045
O -4.583026 1.766031 -1.166242
C -0.162795 -1.540887 -0.178944
C -1.310958 -0.480206 -0.289734
C -0.617715 -2.657276 0.735914
C 1.291641 -1.204547 -0.530954
C -2.234461 -0.859111 0.983754
C 1.653991 0.281480 -0.255905
C -2.036374 -2.380743 1.219398
C -0.785106 0.984156 -0.188973
C 0.573159 1.188712 -0.891638
C 3.131588 0.650998 -0.688081
C 2.293542 -2.163120 0.147749
C -2.066056 -0.659078 -1.635384
C 3.735340 -1.860447 -0.320886
C 4.108455 -0.401846 -0.132763
C -3.700951 -0.450507 0.793038
C 3.475877 2.054993 -0.097154
C 3.278131 0.682789 -2.243542
C 4.980560 2.393164 -0.123520
C 5.294248 -0.065050 0.470087
C -4.097998 0.916610 1.366887
C 5.809315 1.315558 0.572786
C -5.572348 1.673300 -0.403965
C -7.016855 1.915282 -0.763349
H 0.067028 -3.287301 1.313389
H 1.364348 -1.366491 -1.628523
H 1.615794 0.435908 0.847787
H -2.760846 -2.962380 0.623762
H -2.189792 -2.618032 2.286390
H -0.679332 1.282778 0.870356
H -1.543386 1.654823 -0.635740
H 0.482245 0.965809 -1.972980
H 0.852358 2.254929 -0.807575
H 2.034844 -3.210575 -0.095040
H 2.235605 -2.045510 1.248816
H -1.358059 -0.525510 -2.473943
H -2.504288 -1.664253 -1.729133
H -2.866124 0.093565 -1.738549
H 3.811075 -2.116387 -1.399434
H 4.460181 -2.506372 0.206757
H 3.128800 2.088793 0.955597
H 2.917955 2.836502 -0.645156
H -0.888604 -0.413301 2.437659
H 4.323719 0.888228 -2.533497
H 2.989262 -0.275397 -2.710083
H 2.644287 1.475548 -2.678156
H 5.185484 3.365175 0.358887
H 5.345360 2.476555 -1.167836
H 5.952550 -0.845800 0.873691
H -3.356383 1.679359 1.072632
H -4.132167 0.864123 2.466507
H -7.564813 2.358801 0.082658
H -7.491301 0.945308 -0.999939
H -7.079968 2.563048 -1.650122


