%chk=000229736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229736

0 1
O -1.948139 1.955536 1.504310
O -3.947062 0.791386 -0.905755
O -4.032716 2.491121 0.636065
O -1.212453 -1.039205 0.278643
O 1.398148 1.470441 0.869154
O -0.625548 -1.613990 -1.831335
O 2.229084 -0.623750 0.687766
C -3.173781 0.331197 0.205691
C -1.681632 0.248646 -0.186947
C -3.266683 1.467588 1.262133
C -0.967818 1.377077 0.593790
C -4.209065 2.226100 -0.782092
C 0.189842 0.956864 1.500931
C -3.203094 3.012379 -1.596880
C -5.666301 2.447344 -1.117677
C -0.696551 -1.925023 -0.669840
C -0.335548 -3.191310 0.010063
C 2.362388 0.562331 0.476621
C 3.491325 1.258356 -0.179044
C -0.903845 -4.388493 -0.453316
C 0.573735 -3.194038 1.074857
C -0.562777 -5.592400 0.165201
C 0.912491 -4.406473 1.684114
C 4.488772 0.475045 -0.783765
C 3.577423 2.658827 -0.201825
C 0.343600 -5.600943 1.233134
C 5.569617 1.097662 -1.410892
C 4.662891 3.273456 -0.829975
C 5.656363 2.494383 -1.433649
H -3.602376 -0.646875 0.493802
H -1.539302 0.330568 -1.291634
H -3.718748 1.300469 2.252208
H -0.657708 2.204958 -0.086480
H 0.256769 -0.138354 1.657350
H 0.145841 1.485296 2.474007
H -3.590328 3.999877 -1.877391
H -2.939878 2.479323 -2.520032
H -2.279377 3.190455 -1.028272
H -6.015162 3.413413 -0.727634
H -6.296524 1.666920 -0.666201
H -5.841949 2.423261 -2.199950
H -1.601174 -4.376046 -1.291985
H 1.027791 -2.254746 1.412406
H -0.999636 -6.526142 -0.185895
H 1.623417 -4.415618 2.509504
H 4.409544 -0.615421 -0.758368
H 2.794998 3.257574 0.272158
H 0.607852 -6.543966 1.711515
H 6.344702 0.494763 -1.882686
H 4.734820 4.360185 -0.849711
H 6.501965 2.977594 -1.924194


%chk=000229736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229736

0 1
O -2.207694 1.550792 1.713165
O -3.376367 1.566046 -1.221600
O -4.467319 1.960234 0.850348
O -1.133415 -0.943299 0.308660
O 1.340945 1.610012 0.635238
O 0.211383 -1.401100 -1.549966
O 2.240546 -0.508267 1.057624
C -3.001141 0.472101 -0.307199
C -1.466157 0.381485 -0.260426
C -3.423220 0.987514 1.097420
C -1.089444 1.506110 0.729156
C -4.335240 2.490820 -0.536513
C 0.196241 1.322610 1.536806
C -3.732846 3.897632 -0.521709
C -5.707581 2.399012 -1.203586
C -0.265439 -1.765734 -0.450580
C -0.032719 -3.077140 0.208573
C 2.312099 0.603086 0.480201
C 3.411895 1.032323 -0.428082
C 0.810861 -4.008829 -0.450602
C -0.622146 -3.411773 1.454992
C 1.058616 -5.268334 0.130618
C -0.371239 -4.673791 2.032376
C 4.459925 0.108755 -0.679568
C 3.438199 2.316468 -1.031597
C 0.467210 -5.603619 1.372382
C 5.527065 0.467516 -1.527372
C 4.508804 2.670563 -1.879203
C 5.553793 1.749046 -2.128279
H -3.478125 -0.476331 -0.605547
H -0.997275 0.489825 -1.251485
H -3.837595 0.257235 1.806370
H -1.048157 2.460895 0.168154
H 0.283453 0.304902 1.948803
H 0.231635 2.071046 2.345274
H -4.444706 4.606371 -0.065261
H -3.514097 4.225495 -1.552488
H -2.802695 3.911337 0.068908
H -6.441931 3.001002 -0.641256
H -6.050174 1.351454 -1.225672
H -5.651987 2.778269 -2.238091
H 1.259783 -3.724744 -1.407939
H -1.262183 -2.682317 1.958264
H 1.710627 -5.986446 -0.378040
H -0.824075 -4.932705 2.995464
H 4.415753 -0.876414 -0.203825
H 2.624657 3.018544 -0.830596
H 0.660990 -6.582956 1.824329
H 6.334824 -0.246211 -1.721548
H 4.530137 3.661407 -2.345675
H 6.383727 2.027706 -2.787419


