%chk=000186117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186117

0 1
O 1.096532 0.786466 2.200553
O 0.963133 0.843253 -2.531470
O 2.883177 -1.202044 2.011471
C -1.378140 1.579554 0.529189
C -0.068634 2.026137 -0.154893
C -2.117929 0.512490 -0.286509
C -3.425804 0.093918 0.396910
C -4.205115 -0.956850 -0.422885
C 0.946704 0.904478 -0.154435
C 0.514956 3.263127 0.538939
C -3.501436 -2.320150 -0.399752
C -5.637272 -1.087845 0.115195
C 1.465009 0.351413 0.962548
C 1.382645 0.394159 -1.487180
C 2.477219 -0.773765 0.952739
C 2.382920 -0.722115 -1.500740
C 2.900741 -1.275016 -0.396811
C 3.892585 -2.380159 -0.391909
H -2.031161 2.461300 0.674170
H -1.155921 1.201019 1.547462
H -0.297416 2.295201 -1.222707
H -1.467119 -0.371899 -0.428395
H -2.328779 0.894682 -1.304753
H -4.063428 0.985660 0.551724
H -3.215288 -0.300271 1.408655
H -4.261553 -0.608294 -1.484492
H -0.188339 4.101871 0.512622
H 0.748401 3.056853 1.592458
H 1.439512 3.593063 0.053569
H -4.043325 -3.057058 -1.001388
H -3.426112 -2.718079 0.617564
H -2.484935 -2.249515 -0.801281
H -6.208121 -1.829069 -0.453999
H -6.178266 -0.138211 0.050751
H -5.647839 -1.403473 1.163726
H 2.660474 -1.053026 -2.506410
H 4.171150 -2.713705 -1.400759
H 3.508831 -3.259278 0.153049
H 4.820137 -2.082343 0.125864
H 1.575905 0.259820 2.918609


%chk=000186117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186117

0 1
O 1.114086 0.687168 2.250446
O 1.045258 0.897156 -2.576932
O 2.897069 -1.259704 2.041664
C -1.406121 1.621052 0.489297
C -0.050482 2.054050 -0.148821
C -2.113119 0.471760 -0.262855
C -3.483090 0.114463 0.357692
C -4.291761 -0.960313 -0.417685
C 0.965835 0.922620 -0.162879
C 0.522536 3.314921 0.554884
C -3.567093 -2.328187 -0.446326
C -5.707419 -1.111629 0.188492
C 1.481825 0.321913 0.966261
C 1.460796 0.412374 -1.469992
C 2.491610 -0.784273 0.924607
C 2.467961 -0.693827 -1.512277
C 2.978523 -1.285351 -0.388035
C 3.991582 -2.401226 -0.384740
H -2.067860 2.511526 0.496834
H -1.241053 1.337195 1.546382
H -0.241982 2.306447 -1.209392
H -1.458131 -0.421971 -0.263657
H -2.252836 0.758305 -1.326187
H -4.095043 1.039206 0.422096
H -3.334757 -0.232894 1.402831
H -4.401207 -0.608228 -1.466295
H -0.209193 4.141354 0.492639
H 0.731016 3.115781 1.620133
H 1.457857 3.651395 0.072046
H -4.175541 -3.086308 -0.974236
H -3.390064 -2.694864 0.584004
H -2.589884 -2.267395 -0.958486
H -6.311031 -1.845430 -0.377824
H -6.250893 -0.147995 0.185810
H -5.647037 -1.462778 1.237261
H 2.773832 -1.004616 -2.517843
H 4.273301 -2.689409 -1.410277
H 3.594407 -3.288773 0.141014
H 4.901658 -2.101921 0.166724
H 1.634544 0.100705 2.880621


