%chk=000245832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245832

0 1
O -3.771293 -2.661424 0.261547
O 4.693213 -0.431168 0.461096
O 2.749298 0.193100 -1.537641
O -4.237083 3.308350 -0.193926
O -7.044514 2.780989 -0.303874
O -2.910894 -4.737561 0.479426
C -1.419634 -2.741107 0.380870
C -3.236566 -1.349279 0.192905
C -4.240853 -0.303280 0.067439
C 1.059215 -2.481676 0.431618
C -1.880702 -1.358187 0.256880
C -0.185495 -3.258747 0.478362
C 3.466905 -1.036296 0.358058
C 1.254914 -1.502709 -0.561944
C 2.448145 -0.786054 -0.605297
C -2.667190 -3.571552 0.395143
C 2.066600 -2.737942 1.371485
C -3.837519 1.043999 0.000682
C -5.602166 -0.631039 0.013409
C 3.260058 -2.014035 1.341776
C -4.796624 2.052569 -0.124936
C -6.179859 1.711570 -0.179683
C 5.011492 0.649883 -0.475946
C -6.568672 0.372693 -0.108783
C 6.392177 1.102719 -0.094173
C 6.776670 2.425685 -0.360289
C 7.300288 0.214754 0.498589
C 8.067980 2.851289 -0.038529
C 8.587894 0.649336 0.824673
C 8.974446 1.965679 0.554271
C 1.757398 0.475316 -2.555185
C -5.127674 4.451198 -0.242687
C -8.464984 2.492762 -0.336521
H -1.212727 -0.516190 0.253494
H -0.054082 -4.342710 0.607958
H 0.468950 -1.327754 -1.294682
H 1.921482 -3.496287 2.140571
H -2.784582 1.323046 0.048317
H -5.907313 -1.680059 0.068161
H 4.045596 -2.195052 2.076049
H 4.245482 1.439678 -0.362734
H 4.980723 0.236255 -1.503638
H -7.618830 0.092651 -0.148180
H 6.074897 3.121792 -0.814766
H 6.989374 -0.809693 0.710908
H 8.367819 3.876798 -0.247417
H 9.290565 -0.040405 1.289447
H 9.978324 2.301660 0.805915
H 0.838909 0.853878 -2.097363
H 2.257380 1.258263 -3.139789
H 1.574181 -0.413415 -3.166273
H -4.418095 5.286426 -0.256661
H -5.731160 4.416739 -1.156229
H -5.762382 4.474398 0.648942
H -8.779126 2.017294 0.597217
H -8.709236 1.881824 -1.210409
H -8.891822 3.499827 -0.428649


%chk=000245832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245832

0 1
O -3.860952 -2.475654 0.885561
O 5.048136 -0.696778 0.379280
O 2.842312 0.735281 -0.733821
O -4.822206 3.138059 -1.398501
O -7.561701 2.372075 -1.301307
O -2.717928 -4.356509 1.709157
C -1.498320 -2.315139 0.919264
C -3.447960 -1.201185 0.392236
C -4.513841 -0.293555 -0.007530
C 1.086128 -2.172573 0.931349
C -2.068414 -1.086012 0.398088
C -0.213627 -2.779499 1.166132
C 3.722137 -1.095969 0.565661
C 1.289098 -0.951526 0.215216
C 2.577935 -0.423591 0.016908
C -2.653641 -3.208343 1.240748
C 2.239997 -2.851193 1.428115
C -4.219771 1.018933 -0.472949
C -5.872732 -0.701059 0.061631
C 3.525305 -2.314862 1.253814
C -5.234855 1.900620 -0.876524
C -6.601879 1.467367 -0.829235
C 5.422562 0.728731 0.623836
C -6.900600 0.171020 -0.344121
C 6.850734 0.921137 0.162299
C 7.720865 1.771550 0.887581
C 7.319995 0.297702 -1.020842
C 9.036799 2.010603 0.429895
C 8.638037 0.527494 -1.472390
C 9.499501 1.388717 -0.752298
C 1.711365 1.402942 -1.386857
C -5.458574 4.362016 -0.865612
C -8.958711 1.923552 -1.344856
H -1.532915 -0.194113 0.085063
H -0.183961 -3.779991 1.623681
H 0.432640 -0.443414 -0.228174
H 2.114396 -3.796231 1.967914
H -3.190625 1.385641 -0.535201
H -6.109929 -1.703500 0.427529
H 4.413255 -2.821935 1.642633
H 5.320855 0.934106 1.707512
H 4.723240 1.376024 0.065568
H -7.938125 -0.171789 -0.294187
H 7.373234 2.246948 1.813495
H 6.653186 -0.377928 -1.565943
H 9.700676 2.671021 0.999076
H 8.994170 0.035554 -2.384667
H 10.521523 1.567521 -1.104828
H 0.982677 1.779765 -0.643210
H 2.155885 2.248521 -1.931396
H 1.205952 0.723756 -2.099444
H -4.937870 5.190413 -1.369452
H -6.535390 4.381067 -1.097195
H -5.303681 4.431054 0.228657
H -9.344171 1.709831 -0.329710
H -9.067298 1.027193 -1.984163
H -9.513619 2.764930 -1.784483


