%chk=000198167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198167

0 1
O -4.646106 2.434684 0.145229
O 4.702513 2.399892 0.123881
O -5.043267 2.667276 -2.095044
O 5.717954 1.714725 -1.807260
C -1.287451 -2.882353 0.508495
C 0.002990 -2.083935 0.451372
C -1.241006 -4.048741 -0.503446
C 1.260035 -2.902247 0.578716
C 1.290988 -4.054021 -0.436878
C 0.020442 -4.862508 -0.389472
C 0.016954 -0.744345 0.313676
C -1.535588 -3.389319 1.934456
C -1.212364 0.079113 0.227347
C 1.263675 0.052725 0.230413
C 0.015965 -6.192798 -0.285414
C -1.619041 0.604513 -1.008167
C 1.676909 0.825016 1.331252
C -1.961627 0.350918 1.386639
C 2.021661 0.054513 -0.950155
C -2.769455 1.392402 -1.103908
C 2.841019 1.586026 1.260215
C -3.110820 1.134392 1.315121
C 3.191511 0.813469 -1.045275
C -3.493463 1.642716 0.062654
C 3.578605 1.565487 0.064749
C -5.353906 2.902964 -0.958197
C 5.712048 2.420106 -0.833990
C -6.496444 3.698052 -0.430667
C 6.702380 3.440792 -0.394442
H -2.150499 -2.226916 0.219530
H -1.312421 -3.642321 -1.534146
H -2.138963 -4.683760 -0.371434
H 2.171565 -2.282063 0.460207
H 1.313213 -3.311243 1.610902
H 2.179497 -4.688537 -0.249845
H 1.423666 -3.648535 -1.461889
H -1.478209 -2.574947 2.664029
H -2.527202 -3.846229 2.023483
H -0.801368 -4.151387 2.224025
H -0.882863 -6.787360 -0.259973
H 0.910106 -6.790828 -0.216602
H -1.031172 0.399434 -1.903375
H 1.079689 0.828072 2.242786
H -1.640190 -0.055640 2.344902
H 1.696623 -0.541605 -1.802985
H -3.089599 1.795218 -2.067802
H 3.180559 2.190625 2.098007
H -3.705580 1.358950 2.197320
H 3.784188 0.810717 -1.963004
H -6.516117 3.734127 0.671466
H -7.455285 3.273390 -0.769481
H -6.450498 4.735916 -0.798717
H 6.417412 3.928991 0.552650
H 6.812750 4.228908 -1.156961
H 7.694787 2.983709 -0.250794


%chk=000198167-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198167

0 1
O -4.885626 2.356296 0.199635
O 4.719656 2.488192 -0.118660
O -4.671737 3.649460 -1.760371
O 6.015953 1.390546 -1.753483
C -1.286326 -2.984314 0.539868
C -0.021993 -2.120046 0.589303
C -1.105870 -4.067657 -0.583474
C 1.246661 -2.932169 0.815864
C 1.426238 -4.043166 -0.265901
C 0.164956 -4.882624 -0.402215
C -0.026825 -0.753785 0.388697
C -1.622399 -3.661078 1.895904
C -1.290299 0.055456 0.308952
C 1.236132 0.046521 0.229680
C 0.173822 -6.239944 -0.344089
C -1.476933 0.999177 -0.736953
C 1.445586 1.222251 1.003929
C -2.316119 -0.050371 1.290084
C 2.231237 -0.300661 -0.722126
C -2.643413 1.787162 -0.843377
C 2.614221 1.991063 0.858909
C -3.483794 0.730726 1.211819
C 3.410865 0.457955 -0.891574
C -3.647692 1.639561 0.142934
C 3.593904 1.604335 -0.083882
C -5.318631 3.306909 -0.749073
C 5.853038 2.326546 -0.943109
C -6.679684 3.836276 -0.351059
C 6.829005 3.455436 -0.690411
H -2.146402 -2.356090 0.247977
H -1.066195 -3.540560 -1.559774
H -1.993476 -4.727836 -0.600667
H 2.141471 -2.290837 0.851117
H 1.172135 -3.431472 1.803660
H 2.295345 -4.679051 -0.016032
H 1.646114 -3.551549 -1.237440
H -1.684409 -2.920179 2.713836
H -2.596576 -4.180534 1.829525
H -0.864759 -4.414656 2.174532
H -0.748854 -6.825549 -0.436006
H 1.105152 -6.803566 -0.210167
H -0.693872 1.116131 -1.494299
H 0.685163 1.529571 1.729794
H -2.185007 -0.734208 2.134894
H 2.072393 -1.174406 -1.363871
H -2.768515 2.492285 -1.665202
H 2.783976 2.888898 1.460661
H -4.270447 0.655710 1.968536
H 4.159617 0.172842 -1.630607
H -7.026864 3.390671 0.591271
H -7.403330 3.617041 -1.155699
H -6.627145 4.934229 -0.249920
H 6.446012 4.160081 0.060567
H 7.022645 3.987167 -1.638229
H 7.791093 3.034017 -0.350077


