%chk=000298128.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298128

0 1
O -1.607449 -0.069363 1.985795
O -2.590888 -2.265707 -0.692636
O -4.671884 -0.209335 -0.899303
O 5.307679 -1.136528 0.549088
O 4.455469 1.205248 -1.117156
C -0.505289 -0.393221 -0.185500
C -1.025207 0.884839 -0.893996
C -1.452925 -0.987623 0.884322
C -2.862432 -1.221249 0.265606
C -2.414764 0.553369 -1.494097
C -3.357393 0.095883 -0.376935
C 0.943972 -0.338583 0.253968
C -1.107604 2.171645 -0.122222
C 1.493409 0.918675 0.773771
C 0.598269 1.720802 1.680973
C -0.399901 2.552646 0.942827
C 1.671757 -1.475820 0.130306
C 2.734558 1.377401 0.507255
C -1.977276 -0.699033 3.229388
C -3.766535 -2.871667 -1.268242
C -5.518721 0.938519 -1.089653
C 3.080899 -1.666392 0.380208
C 3.783372 0.689907 -0.248799
C 4.037612 -0.723672 0.221251
C 6.418292 -0.292290 0.143123
H -0.548464 -1.183600 -1.008540
H -0.314782 1.083349 -1.745265
H -1.037685 -1.952048 1.254007
H -3.596573 -1.587701 1.010920
H -2.833558 1.420942 -2.030923
H -2.328130 -0.253198 -2.250847
H -3.445474 0.873115 0.418885
H -1.826867 2.877110 -0.552643
H 1.201431 2.353137 2.364030
H 0.030323 1.017318 2.350062
H -0.550012 3.545263 1.373755
H 1.165908 -2.397473 -0.194686
H 3.044024 2.369825 0.852375
H -2.051436 0.154136 3.915053
H -1.196946 -1.393266 3.555301
H -2.943406 -1.202954 3.139103
H -4.382260 -2.110132 -1.767646
H -4.339373 -3.391397 -0.496477
H -3.341409 -3.575484 -1.991419
H -5.680854 1.458640 -0.141087
H -6.451905 0.491405 -1.452878
H -5.093695 1.609683 -1.841185
H 3.385697 -2.676684 0.675602
H 6.417253 0.629182 0.730782
H 6.369296 -0.075760 -0.931279
H 7.278375 -0.926059 0.388062


%chk=000298128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298128

0 1
O -1.528343 -0.042781 1.993929
O -2.639736 -2.319189 -0.697733
O -4.875726 -0.280761 -0.644559
O 5.427023 -1.265483 -0.042274
O 5.142749 1.573267 0.319623
C -0.557600 -0.266788 -0.339196
C -1.216146 0.919391 -1.124004
C -1.416843 -0.898220 0.801343
C -2.838826 -1.234876 0.272702
C -2.660244 0.503165 -1.553221
C -3.469874 0.034910 -0.331037
C 0.942099 -0.106387 -0.019511
C -1.215722 2.310133 -0.513072
C 1.474156 1.053724 0.677578
C 0.508646 2.018435 1.376338
C -0.462216 2.794466 0.503740
C 1.738366 -1.175463 -0.464315
C 2.826424 1.389391 0.806218
C -1.785775 -0.793963 3.225770
C -3.837251 -3.129953 -0.963842
C -5.707547 0.904037 -0.851360
C 3.134996 -1.438325 -0.376954
C 4.097263 0.818122 0.361488
C 4.196211 -0.625579 0.026606
C 6.614961 -0.759850 0.687509
H -0.601475 -1.091913 -1.080096
H -0.626352 1.003944 -2.064169
H -0.927955 -1.854406 1.089479
H -3.483614 -1.593911 1.103815
H -3.156576 1.360624 -2.044896
H -2.614864 -0.328911 -2.279906
H -3.440999 0.821717 0.457309
H -1.883892 3.017346 -1.031006
H 1.099614 2.736911 1.969231
H -0.100856 1.421698 2.084490
H -0.579537 3.855717 0.764719
H 1.182288 -1.998382 -0.935882
H 3.023452 2.357730 1.289242
H -1.758275 -0.055285 4.042670
H -1.004192 -1.563232 3.394367
H -2.780129 -1.284519 3.215352
H -4.629576 -2.525898 -1.438530
H -4.230602 -3.568570 -0.022898
H -3.504216 -3.938433 -1.634662
H -5.635360 1.599325 0.011983
H -6.743102 0.538556 -0.941419
H -5.436285 1.452978 -1.776146
H 3.450649 -2.438287 -0.703042
H 6.401831 -0.710724 1.770837
H 6.898410 0.237900 0.324606
H 7.387067 -1.517597 0.485189


