%chk=000179611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179611

0 1
O -0.995771 1.443617 -0.392323
O 0.191711 -1.041765 0.307404
O -1.271069 -2.732760 0.551355
O 2.213514 -1.484813 -0.718397
O 1.129917 -1.008492 2.767759
O 3.259623 1.068767 2.328849
O 1.311635 0.458704 -1.601782
O 3.174189 2.009331 -0.386606
O 2.644699 -0.449937 -3.577263
O -1.605259 3.198684 0.899829
C -1.856334 -0.694714 -0.840495
C -2.068216 0.543310 0.078234
C -3.282149 -1.284781 -1.016873
C -3.440258 1.110310 -0.337250
C -4.242012 -0.071290 -0.902712
C -0.831809 -1.741480 -0.413733
C -1.929112 0.323275 1.569567
C -3.578986 -2.335792 0.010394
C 1.470908 -1.689606 0.461559
C -2.620326 -2.949276 0.711832
C 2.054836 -0.954739 1.692532
C 2.365565 0.520362 1.351245
C 2.488980 -0.128717 -1.145294
C 3.155210 0.640910 0.032985
C -0.854771 2.737189 0.075560
C 3.401302 -0.264581 -2.388426
C 0.303726 3.364830 -0.606432
H -1.503753 -0.289584 -1.831071
H -3.373639 -1.747568 -2.029412
H -3.312603 1.906888 -1.093335
H -3.955086 1.595354 0.511040
H -5.104628 -0.305320 -0.254283
H -4.665035 0.179702 -1.890657
H -0.391754 -2.327036 -1.248535
H -2.095303 1.258410 2.128188
H -2.662406 -0.414248 1.924610
H -0.927646 -0.051814 1.841536
H -4.628243 -2.579199 0.156437
H 1.383045 -2.790479 0.552857
H 2.958190 -1.476763 2.090082
H -2.726664 -3.714024 1.477130
H 1.435806 1.134640 1.332552
H 4.205549 0.295794 0.187185
H 4.031094 -1.174538 -2.327748
H 4.022563 0.648047 -2.495887
H 0.195614 -0.817079 2.432800
H 2.877863 0.953548 3.232165
H 0.587726 0.516769 -0.895562
H 3.602914 2.553136 0.323114
H 0.030301 3.721134 -1.612622
H 1.154599 2.661703 -0.766811
H 0.683259 4.226538 -0.038384
H 1.864495 0.162546 -3.582106


%chk=000179611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179611

0 1
O -0.911951 1.526638 -0.221150
O 0.240877 -1.078169 0.610369
O -1.510120 -2.510862 1.109363
O 2.147311 -1.537541 -0.819831
O 1.768848 -1.326083 2.928655
O 3.502555 0.986674 2.272203
O 1.228014 0.557878 -1.631194
O 3.307828 2.014604 -0.349989
O 2.497770 -0.441836 -3.685715
O -1.968260 3.442118 0.616900
C -1.804788 -0.713266 -0.672086
C -2.115099 0.629571 0.064308
C -3.202356 -1.328225 -1.051174
C -3.363211 1.136456 -0.707422
C -4.222810 -0.135379 -0.905574
C -0.882902 -1.738876 0.004260
C -2.330442 0.529114 1.582141
C -3.586465 -2.506346 -0.177574
C 1.554650 -1.749349 0.479779
C -2.801834 -2.990957 0.817772
C 2.386031 -1.128109 1.614645
C 2.571362 0.368463 1.319798
C 2.423899 -0.104250 -1.221127
C 3.203414 0.580804 -0.062580
C -0.987835 2.913626 0.053224
C 3.295339 -0.193492 -2.496184
C 0.237178 3.633329 -0.462958
H -1.283027 -0.425043 -1.604835
H -3.178421 -1.653492 -2.109101
H -3.035933 1.537040 -1.686342
H -3.888549 1.940034 -0.169993
H -4.867146 -0.305096 -0.024636
H -4.883662 -0.052700 -1.785438
H -0.541354 -2.481562 -0.747582
H -2.628546 1.508716 1.987137
H -3.125871 -0.203962 1.801538
H -1.411973 0.186832 2.084172
H -4.572599 -2.958918 -0.328142
H 1.440039 -2.842979 0.577848
H 3.368273 -1.627222 1.670871
H -3.087572 -3.791561 1.505129
H 1.584927 0.873743 1.373049
H 4.217041 0.123641 -0.035123
H 3.999791 -1.035031 -2.399911
H 3.853781 0.761578 -2.581744
H 0.786091 -1.220628 2.810936
H 3.203017 0.746891 3.187141
H 0.586649 0.823938 -0.904636
H 3.789251 2.416615 0.420937
H 0.142126 3.770271 -1.556440
H 1.172580 3.070535 -0.299830
H 0.295672 4.625247 0.009477
H 1.664414 0.089682 -3.568539


