%chk=000179533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179533

0 1
O -3.241121 1.588679 -0.711667
O 0.662791 -2.602788 1.075396
O -0.652218 1.011206 -0.425035
O -5.224090 -0.470571 0.297228
O -1.741474 -3.308129 1.358805
C 1.397735 -0.497869 0.226453
C 2.818697 -1.016239 0.470545
C -1.064772 -1.157306 0.468699
C 0.347678 -1.496511 0.622413
C 3.837933 0.003862 0.044045
C -1.548896 0.059910 -0.046929
C -2.063683 -2.108499 0.869452
C -2.924189 0.337252 -0.187670
C -3.875169 -0.606135 0.273843
C -3.436796 -1.834497 0.786025
C 4.352877 -0.014284 -1.261285
C 4.276562 0.984557 0.947164
C 5.297791 0.936674 -1.655606
C 5.221396 1.933266 0.547747
C 5.734039 1.912015 -0.753328
C -3.404669 1.568919 -2.161920
C -5.813483 0.808397 -0.068404
H 1.263448 -0.216145 -0.843505
H 1.231530 0.458920 0.774410
H 2.943951 -1.280898 1.542408
H 2.965657 -1.977864 -0.066519
H -4.157201 -2.575966 1.131435
H 4.018542 -0.771395 -1.967540
H 3.882385 1.005415 1.961145
H 5.696352 0.916430 -2.668486
H 5.560240 2.690380 1.252912
H 6.470751 2.650146 -1.061584
H -1.135975 1.865140 -0.689083
H -0.690476 -3.461309 1.418111
H -4.255872 0.938229 -2.433958
H -2.492495 1.213232 -2.646488
H -3.599236 2.622469 -2.387493
H -5.843260 0.882659 -1.159060
H -5.252826 1.642239 0.370884
H -6.818954 0.721605 0.361341


%chk=000179533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179533

0 1
O -3.262837 1.577948 -1.096265
O 0.659601 -2.531139 1.132246
O -0.672774 1.105061 -0.706785
O -5.268194 -0.405254 -0.171520
O -1.709055 -3.250341 1.318303
C 1.472647 -0.446409 0.203975
C 2.875851 -0.977963 0.583792
C -1.067708 -1.086566 0.342686
C 0.349789 -1.397345 0.579607
C 3.966127 -0.005067 0.158820
C -1.551143 0.115740 -0.262280
C -2.073428 -2.062396 0.739909
C -2.931330 0.346921 -0.454667
C -3.887199 -0.602841 -0.000868
C -3.454276 -1.810348 0.571677
C 4.543579 -0.082533 -1.135251
C 4.407016 1.023406 1.031608
C 5.530924 0.840334 -1.548218
C 5.394122 1.949491 0.624453
C 5.959422 1.862098 -0.669009
C -3.878731 1.403901 -2.441510
C -5.824738 0.819441 0.456518
H 1.413521 -0.234956 -0.881693
H 1.283756 0.538952 0.672318
H 2.910487 -1.151988 1.674506
H 3.026056 -1.964843 0.110100
H -4.182438 -2.550403 0.908855
H 4.222644 -0.878349 -1.819587
H 3.979353 1.092375 2.040048
H 5.969238 0.759990 -2.549739
H 5.725540 2.733403 1.315282
H 6.727693 2.576737 -0.985283
H -1.243316 1.853041 -1.050899
H -0.663316 -3.241399 1.378129
H -4.824840 0.842597 -2.353557
H -3.185347 0.866132 -3.114277
H -4.065712 2.421959 -2.815074
H -5.295705 1.724393 0.109787
H -5.750246 0.737888 1.556544
H -6.881534 0.843529 0.152223


