%chk=000252399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252399

0 1
O 4.705609 -0.919646 -1.191870
O -6.002851 0.042845 -0.175318
C 2.452507 -0.469922 -0.456987
C 1.832281 0.814832 0.181943
C 0.338645 0.911665 -0.151274
C 3.979098 -0.237594 -0.152755
C 2.770623 1.947691 -0.268325
C 1.777996 -1.691794 0.191301
C -0.369943 -0.313100 0.498894
C 4.172069 1.300752 -0.311686
C 0.252761 -1.632777 -0.011549
C -0.304770 2.201560 0.377156
C 2.279990 -0.540697 -1.982308
C 4.448309 -0.771195 1.214092
C -1.867637 -0.249886 0.286053
C -1.763791 2.282584 -0.083798
C -2.516401 0.985040 0.045556
C 5.918896 -0.485353 1.504825
C -2.642672 -1.411062 0.389786
C -3.905507 1.029648 -0.103161
C -4.033246 -1.390409 0.243736
C -4.648272 -0.160008 -0.004859
C -6.871610 -1.111616 -0.097102
H 1.924540 0.732513 1.295263
H 0.197136 0.870191 -1.257973
H 2.739474 2.802725 0.423855
H 2.483230 2.336107 -1.260033
H 2.003039 -1.742603 1.271615
H 2.179152 -2.623428 -0.250119
H -0.203132 -0.262046 1.607450
H 4.671905 1.506877 -1.273861
H 4.823373 1.712548 0.473900
H 0.013653 -1.760055 -1.086186
H -0.213422 -2.491982 0.507667
H 0.251629 3.086902 0.018328
H -0.250947 2.235658 1.481754
H 2.682391 0.348058 -2.479145
H 2.835081 -1.399475 -2.386542
H 1.230626 -0.645420 -2.273651
H 4.278052 -1.867107 1.243720
H 3.817506 -0.337685 2.014455
H -1.801671 2.601538 -1.148733
H -2.286832 3.080501 0.483109
H 5.660551 -0.942616 -0.987607
H 6.572586 -0.892398 0.723263
H 6.117514 0.591394 1.577287
H 6.226303 -0.938859 2.454670
H -2.157325 -2.368251 0.592740
H -4.428406 1.963631 -0.293003
H -4.600782 -2.308860 0.325420
H -6.813792 -1.564146 0.896824
H -6.624547 -1.827541 -0.886106
H -7.858567 -0.662930 -0.268214


%chk=000252399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252399

0 1
O 4.827343 -1.077514 -1.104385
O -6.121588 0.073342 -0.089456
C 2.501670 -0.480415 -0.504770
C 1.864009 0.798998 0.125012
C 0.353678 0.908833 -0.153403
C 4.026365 -0.253306 -0.166853
C 2.798602 1.951507 -0.326359
C 1.809193 -1.721277 0.111565
C -0.360719 -0.349472 0.434103
C 4.213245 1.287003 -0.439385
C 0.268719 -1.673840 -0.088268
C -0.290457 2.176921 0.447728
C 2.349909 -0.519313 -2.052562
C 4.417943 -0.649252 1.286456
C -1.886020 -0.265164 0.254316
C -1.754341 2.303853 -0.018496
C -2.539167 0.996368 0.083028
C 5.913345 -0.460615 1.633640
C -2.696667 -1.425048 0.306004
C -3.945289 1.050465 -0.024869
C -4.104115 -1.377969 0.194877
C -4.732411 -0.121543 0.028810
C -6.970531 -1.117345 -0.040153
H 1.965380 0.701819 1.230098
H 0.185465 0.938372 -1.251105
H 2.792390 2.792078 0.390332
H 2.472533 2.356218 -1.303381
H 2.009332 -1.760699 1.201127
H 2.216135 -2.652818 -0.328244
H -0.156614 -0.319923 1.531534
H 4.628095 1.414494 -1.455742
H 4.928724 1.746159 0.266362
H 0.006158 -1.810283 -1.155009
H -0.169736 -2.535184 0.450902
H 0.272903 3.080350 0.145588
H -0.243232 2.119223 1.555171
H 2.779351 0.375347 -2.535865
H 2.891170 -1.393217 -2.449736
H 1.293810 -0.592210 -2.360067
H 4.160958 -1.714202 1.436958
H 3.808065 -0.063107 2.000993
H -1.762555 2.635850 -1.078125
H -2.277769 3.094783 0.552715
H 5.786009 -0.935109 -0.902193
H 6.562742 -1.134776 1.041798
H 6.256536 0.577846 1.472788
H 6.092299 -0.706430 2.695869
H -2.227079 -2.405306 0.438261
H -4.456066 2.011591 -0.153646
H -4.682477 -2.305675 0.240093
H -6.868503 -1.647277 0.927412
H -6.737038 -1.814955 -0.868528
H -7.999299 -0.743380 -0.150443


