%chk=000186929.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186929

0 1
O -3.645132 0.048971 -1.481070
O -2.889612 -0.843900 0.575227
O -7.113219 -0.799561 0.676955
O -4.994312 1.052071 1.187542
O -5.244913 -2.863550 -0.775658
O -3.972409 3.328488 -2.048551
O 2.654597 -0.472754 0.179081
O -1.085317 -3.211558 0.266531
O -1.681018 1.559161 0.869112
O 0.502722 2.952144 0.900490
O 7.012970 -1.533560 -1.780864
O 8.813474 0.006655 -0.426300
C -6.096431 -0.603401 -0.303303
C -5.570031 0.841488 -0.084892
C -4.956826 -1.622916 -0.134635
C -4.577929 1.139145 -1.227631
C -3.602139 -1.094779 -0.672807
C -3.736658 2.400819 -0.985976
C -1.507779 -0.768583 0.475448
C -0.900324 0.503316 0.626193
C -0.689657 -1.915125 0.330104
C 0.512407 0.635141 0.535675
C 1.270654 -0.527230 0.302339
C 0.714658 -1.793516 0.205190
C 1.161917 1.934081 0.676091
C 3.286069 0.768113 0.298466
C 2.614370 1.915562 0.527421
C 4.736675 0.580722 0.131663
C -2.384992 -3.602241 0.795234
C 5.210926 -0.408870 -0.751628
C 5.627659 1.388729 0.851526
C 6.585964 -0.567860 -0.911051
C 7.010869 1.231842 0.696410
C 7.485209 0.260017 -0.181894
H -6.567115 -0.697793 -1.310432
H -6.430210 1.558760 -0.077708
H -4.862618 -1.916808 0.946036
H -5.111587 1.221515 -2.207052
H -3.040994 -1.813837 -1.309956
H -2.660436 2.151950 -0.912465
H -4.053611 2.953563 -0.077061
H -7.415072 -1.736078 0.669971
H -4.096814 0.614230 1.267291
H -5.445595 -2.737215 -1.729919
H -3.463374 3.072405 -2.845111
H 1.327076 -2.682017 0.059349
H 3.119048 2.880880 0.597905
H -1.106127 2.451330 1.004712
H -3.089115 -3.665265 -0.043519
H -2.735980 -2.915369 1.572260
H -2.172868 -4.597351 1.207764
H 4.520328 -1.050596 -1.305257
H 5.250140 2.143610 1.543837
H 7.698020 1.861934 1.257075
H 8.012400 -1.564079 -1.817652
H 9.406165 0.601768 0.099796


%chk=000186929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186929

0 1
O -3.838065 0.026225 -1.569148
O -2.985930 -0.782874 0.577042
O -7.399813 -0.629678 0.593281
O -5.032766 1.128205 1.267679
O -5.625212 -2.802137 -0.671936
O -2.930331 2.620822 -2.258446
O 2.612903 -0.432169 -0.030723
O -1.436429 -2.986621 -0.527375
O -1.637879 1.495208 1.404830
O 0.549193 2.760064 1.695129
O 7.204072 -1.907016 -1.108367
O 8.890162 0.144967 -0.624772
C -6.260502 -0.431349 -0.290075
C -5.645748 0.967792 -0.044549
C -5.188277 -1.517639 -0.095685
C -4.690450 1.243097 -1.226754
C -3.809967 -1.078954 -0.659212
C -3.744177 2.435366 -1.049542
C -1.586394 -0.707648 0.408607
C -0.922251 0.462315 0.851111
C -0.816413 -1.793493 -0.106953
C 0.500421 0.566035 0.712303
C 1.216170 -0.513354 0.135421
C 0.582999 -1.695396 -0.272969
C 1.203218 1.770491 1.153960
C 3.306821 0.714516 0.382229
C 2.636979 1.782392 0.957648
C 4.755598 0.608226 0.132487
C -2.074497 -3.784323 0.554301
C 5.301189 -0.603684 -0.376719
C 5.621810 1.705872 0.394672
C 6.678840 -0.714688 -0.612337
C 7.005764 1.596346 0.157283
C 7.533710 0.390477 -0.343347
H -6.595825 -0.464541 -1.356272
H -6.462871 1.710164 -0.061340
H -5.082849 -1.733612 0.978723
H -5.278351 1.389618 -2.152393
H -3.314320 -1.896681 -1.208636
H -3.115459 2.308965 -0.150070
H -4.336877 3.359947 -0.944193
H -7.666319 -1.584574 0.546746
H -4.138479 0.684192 1.300338
H -5.789293 -2.680723 -1.643641
H -2.465375 1.760930 -2.429410
H 1.142960 -2.532447 -0.693565
H 3.183017 2.666756 1.288336
H -0.938334 2.238402 1.657274
H -2.603074 -4.599439 0.039987
H -2.788707 -3.173352 1.133013
H -1.292722 -4.190566 1.221546
H 4.657203 -1.459214 -0.588509
H 5.227379 2.651534 0.775063
H 7.665522 2.448529 0.359647
H 8.187023 -1.812909 -1.217715
H 9.465107 0.924225 -0.433702


