%chk=000251057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251057

0 1
O -0.082023 -0.857185 -0.144554
O 3.222731 -0.406684 0.538194
O 6.770516 2.313268 1.888903
C -2.383244 -0.434933 -0.337024
C -3.541572 0.252932 0.408949
C -2.825200 -1.643374 -1.186258
C -1.285898 -0.839160 0.665740
C -4.560584 0.877754 -0.552670
C -5.667752 1.621037 0.208339
C -3.589992 -2.717600 -0.417926
C 1.086944 -1.324867 0.567193
C 2.245697 -0.962585 -0.380137
C -6.690722 2.236834 -0.743742
C 2.834864 -2.167985 -1.100619
C 4.249705 0.401186 -0.083425
C 5.002733 0.989899 1.106970
C 6.165240 1.869731 0.655688
H -1.919443 0.309820 -1.038839
H -4.047575 -0.472761 1.073931
H -3.135027 1.040599 1.073973
H -3.443925 -1.283449 -2.031408
H -1.916880 -2.090410 -1.643558
H -1.150974 -0.097290 1.470873
H -1.451843 -1.837249 1.102377
H -4.049707 1.573413 -1.245804
H -5.008143 0.091557 -1.191449
H -5.223177 2.413586 0.841614
H -6.176767 0.927147 0.905442
H -4.538653 -2.334244 -0.024490
H -3.823210 -3.571071 -1.064312
H -3.010152 -3.097990 0.430659
H 1.192486 -0.793971 1.532240
H 0.987101 -2.406851 0.745090
H 1.916383 -0.174992 -1.097020
H -7.476357 2.765729 -0.192809
H -6.224958 2.958433 -1.424573
H -7.179050 1.473678 -1.360297
H 2.054039 -2.739815 -1.617014
H 3.576538 -1.872776 -1.849551
H 3.337931 -2.842453 -0.395715
H 3.776019 1.176343 -0.710433
H 4.885646 -0.251499 -0.705712
H 4.310372 1.570201 1.753026
H 5.372225 0.177165 1.768480
H 5.828360 2.752917 0.084890
H 6.917758 1.308517 0.073829
H 7.515436 2.912650 1.699637


%chk=000251057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251057

0 1
O -0.155113 0.093744 -0.209995
O 3.388560 0.004010 0.718674
O 8.001028 0.801131 1.857203
C -2.587860 0.155884 -0.451773
C -3.915609 0.389868 0.320635
C -2.582677 -1.127844 -1.329440
C -1.412669 0.176874 0.543067
C -5.169484 0.496033 -0.576136
C -6.446336 0.851379 0.220207
C -2.843069 -2.450780 -0.573433
C 1.018756 0.050538 0.665507
C 2.259027 -0.069390 -0.231756
C -7.706167 0.936141 -0.668257
C 2.260080 -1.363383 -1.062423
C 4.695574 0.202469 0.084159
C 5.712002 0.419351 1.211555
C 7.137313 0.601802 0.680976
H -2.437708 1.016659 -1.138049
H -4.067715 -0.422021 1.062282
H -3.822449 1.327730 0.908665
H -3.338234 -1.013000 -2.131120
H -1.598581 -1.185096 -1.830942
H -1.430951 1.118694 1.137317
H -1.479096 -0.675101 1.257934
H -4.999903 1.264917 -1.359018
H -5.335170 -0.461255 -1.110247
H -6.293629 1.818419 0.741861
H -6.601847 0.092143 1.014116
H -3.836107 -2.461713 -0.087056
H -2.806538 -3.307097 -1.271774
H -2.081130 -2.631235 0.207071
H 1.091434 0.975606 1.275776
H 0.964176 -0.821630 1.353944
H 2.290314 0.813516 -0.909225
H -8.603945 1.193539 -0.076531
H -7.586025 1.706784 -1.453131
H -7.899910 -0.028693 -1.174150
H 1.312289 -1.431194 -1.624528
H 3.095582 -1.391017 -1.784364
H 2.339604 -2.242210 -0.396711
H 4.655620 1.086532 -0.593831
H 4.972174 -0.685757 -0.525878
H 5.425374 1.308972 1.800365
H 5.687385 -0.449042 1.894295
H 7.186693 1.482210 0.002134
H 7.453018 -0.298451 0.108144
H 8.937818 0.924163 1.560577


