%chk=000160190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160190

0 1
 O    2.480300      0.7428000      0.5618000    
 O   0.4985000      -1.626300      -1.420600    
 O    3.273000      -2.214100      -2.189800    
 O    5.065000      -1.795900      2.8100001E-02
 O   -1.356100     -0.6048000      0.6175000    
 O    4.209000       1.476500       2.566200    
 O    1.797800       2.665000     -0.8019000    
 O   -4.490700       1.942100      8.1000000E-02
 O   -3.002600      -3.010700     -0.9718000    
 C    1.625200     -0.7995000      -1.130100    
 C    1.322900      1.6400000E-02  0.1363000    
 C    2.856100      -1.687600     -0.9288000    
 C    4.023000     -0.8956000     -0.3392000    
 C    3.577000     -0.1092000      0.8950000    
 C   0.2075000       1.018600     -8.8000000E-02
 C    4.695600      0.7745000       1.436900    
 C   -1.120300      0.6692000      0.1655000    
 C   0.5085000       2.301300     -0.5500000    
 C   -2.138400       1.598900     -4.2500000E-02
 C   -1.839700       2.882800     -0.5047000    
 C  -0.5121000       3.230400     -0.7577000    
 C   -3.528300       1.202700      0.2325000    
 C   -2.664500     -0.9800000      0.8769000    
 C   -2.873700       3.932600     -0.7519000    
 C   -3.726700     -0.1773000      0.7159000    
 C   -2.794400      -2.389100       1.362800    
 C   -2.978300      -3.355800      0.2088000    
 C   -3.113500      -4.807600      0.5916000    
 H    1.782100     -0.1472000      -1.997700    
 H    1.038200     -0.6476000      0.9632000    
 H    2.618200      -2.551800     -0.2964000    
 H    4.427100     -0.2196000      -1.102700    
 H    3.260100     -0.7860000       1.700200    
 H    5.015700       1.514800      0.6961000    
 H    5.564200      0.1857000       1.745300    
 H   0.3444000      -2.205900     -0.6550000    
 H    2.515600      -2.692300      -2.568600    
 H    4.718500      -2.393400      0.7127000    
 H  -0.2560000       4.224200      -1.117600    
 H    3.435900       1.992900       2.280800    
 H   -3.578800       3.610400      -1.524900    
 H   -3.406300       4.180000      0.1720000    
 H   -2.427600       4.867400      -1.111000    
 H   -4.738000     -0.5048000      0.9274000    
 H    2.369400       1.884400     -0.8637000    
 H   -3.658900      -2.487900       2.029700    
 H   -1.901400      -2.679200       1.927500    
 H   -2.203600      -5.139200       1.097700    
 H   -3.260300      -5.413900     -0.3066000    
 H   -3.978600      -4.935000       1.247000    


%chk=000160190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000160190

0 1
O 2.473746 0.680397 0.642491
O 0.331595 -1.365941 -1.729814
O 2.978432 -2.426102 -2.141388
O 4.909312 -2.069770 -0.027302
O -1.453214 -0.452644 0.731552
O 4.368627 1.117166 2.773943
O 1.785599 2.820332 -0.688658
O -4.704525 1.998231 -0.157764
O -1.182671 -3.171283 -0.228827
C 1.494511 -0.715567 -1.140624
C 1.197597 0.044271 0.191301
C 2.613078 -1.749340 -0.896441
C 3.886244 -1.079615 -0.364293
C 3.557490 -0.309173 0.926924
C 0.157249 1.126868 0.014348
C 4.723712 0.496686 1.497264
C -1.208851 0.840574 0.206978
C 0.474572 2.422910 -0.470284
C -2.272244 1.738259 -0.097341
C -1.914042 3.040987 -0.599017
C -0.553667 3.355397 -0.761325
C -3.674035 1.278658 0.075260
C -2.763643 -0.908797 0.857100
C -2.953353 4.084461 -0.956378
C -3.830238 -0.114005 0.542245
C -2.817442 -2.307755 1.408678
C -2.106549 -3.406435 0.591663
C -2.581628 -4.824031 0.857650
H 1.823531 0.013712 -1.903571
H 0.876750 -0.680297 0.964920
H 2.256605 -2.497287 -0.150247
H 4.260846 -0.378967 -1.143228
H 3.181399 -1.010775 1.699653
H 5.054381 1.254664 0.754005
H 5.561431 -0.185062 1.707967
H -0.171886 -1.926810 -1.066896
H 2.131024 -2.631165 -2.619358
H 4.996177 -2.676681 -0.807721
H -0.253767 4.340481 -1.130335
H 3.555156 1.666103 2.629631
H -3.649401 3.711049 -1.727048
H -3.590938 4.332509 -0.090408
H -2.463488 5.002736 -1.322318
H -4.851319 -0.488196 0.651343
H 2.397698 2.127955 -0.277335
H -3.869445 -2.601376 1.566481
H -2.339004 -2.328405 2.412681
H -2.758478 -4.994094 1.935024
H -1.853755 -5.553230 0.471313
H -3.549179 -4.985304 0.342703


