%chk=000156826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156826

0 1
 O   0.3712000     -0.3969000       2.071500    
 O  -0.8080000      -2.314500       1.415000    
 O   0.6825000      -2.406800     -0.9688000    
 O   -2.985300     -0.6472000       1.866000    
 O   -1.779900      -1.706700      -1.595400    
 C    1.112900      0.9816000      0.1500000    
 C   -1.171500     -0.1690000      0.2376000    
 C  -0.3749000       1.023600     -0.3934000    
 C    1.765000     -0.3062000     -0.4636000    
 C  -0.1835000      -1.120800      0.9494000    
 C    1.038600      -1.545700      0.1056000    
 C   -2.309300      0.3859000       1.155400    
 C    3.336600     -0.3957000     -0.4342000    
 C    1.016000      0.8274000       1.685800    
 C    1.879200       2.252800     -0.2589000    
 C   -1.089000       2.387800     -0.2121000    
 C   -3.257000       1.053100      0.1491000    
 C   -2.050300     -0.7757000     -0.8573000    
 C   -2.613400       2.332300     -0.4084000    
 C    3.930500      0.9549000     -0.9004000    
 C    3.390800       2.143200     -0.1141000    
 C   -3.327700     -6.5000001E-03 -0.9217000    
 C    3.798300      -1.482500      -1.436700    
 C    3.960800     -0.7699000      0.9279000    
 C   -4.332600     -0.2986000      -1.748400    
 H  -0.3270000      0.8741000      -1.482800    
 H    1.535400     -0.2532000      -1.540100    
 H    1.694300      -2.138700      0.7468000    
 H   -1.939000       1.089700       1.907800    
 H    1.988300      0.8547000       2.176700    
 H   0.4479000       1.649000       2.134400    
 H    1.534800       3.113700      0.3267000    
 H    1.659400       2.483700      -1.310000    
 H  -0.6749000       3.125100     -0.9104000    
 H  -0.8908000       2.787800      0.7891000    
 H   -4.250400       1.246900      0.5674000    
 H   -3.048700       3.201100      0.1016000    
 H   -2.852200       2.458000      -1.472200    
 H    3.706600       1.109100      -1.964700    
 H    5.024900      0.9390000     -0.8197000    
 H    3.852400       3.062200     -0.4945000    
 H    3.670900       2.074100      0.9419000    
 H    3.461600      -2.479200      -1.132200    
 H    3.408800      -1.290000      -2.442800    
 H    4.891700      -1.513800      -1.510000    
 H    3.654600      -1.761400       1.271900    
 H    5.055200     -0.7994000      0.8506000    
 H    3.732100     -5.6200001E-02   1.717700    
 H   -1.724500      -2.109500       1.660000    
 H   0.1796000      -1.894200      -1.622500    
 H   -3.719900     -0.2342000       2.351000    
 H   -5.250000      0.2797000      -1.728200    
 H   -4.266800      -1.113200      -2.461200    


%chk=000156826-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156826

0 1
O 0.370689 -0.405761 2.053431
O -0.792765 -2.333819 1.374483
O 0.769818 -2.489002 -1.086187
O -2.915233 -0.811164 1.804349
O -1.745493 -1.648673 -1.771531
C 1.113259 1.000277 0.129906
C -1.191280 -0.179026 0.188430
C -0.369581 1.057349 -0.415028
C 1.781467 -0.280782 -0.490786
C -0.180566 -1.164457 0.866905
C 1.045299 -1.568832 0.009213
C -2.285040 0.360355 1.154718
C 3.352888 -0.382651 -0.410459
C 1.029324 0.869356 1.668342
C 1.870999 2.285114 -0.307179
C -1.084799 2.412904 -0.152108
C -3.272330 1.047062 0.168566
C -2.066219 -0.746516 -0.947817
C -2.627437 2.383639 -0.343249
C 3.955298 0.962762 -0.915018
C 3.405321 2.189706 -0.159182
C -3.357744 0.013157 -0.949175
C 3.800750 -1.519762 -1.371308
C 3.928133 -0.704071 0.999179
C -4.362012 -0.224483 -1.828473
H -0.301393 0.914363 -1.513151
H 1.563805 -0.229153 -1.579929
H 1.678247 -2.136936 0.711301
H -1.884047 1.034057 1.930147
H 2.024020 0.875708 2.142800
H 0.447787 1.710034 2.105173
H 1.493695 3.161585 0.255793
H 1.639497 2.472221 -1.377650
H -0.657439 3.178485 -0.823666
H -0.859870 2.752934 0.876482
H -4.257593 1.245555 0.626326
H -3.067110 3.240108 0.201643
H -2.889155 2.516736 -1.408853
H 3.723746 1.075709 -1.995599
H 5.059524 0.921750 -0.829955
H 3.862936 3.115791 -0.558688
H 3.689332 2.142458 0.910231
H 3.383689 -2.495070 -1.067704
H 3.451766 -1.328759 -2.403261
H 4.905178 -1.595507 -1.385117
H 3.451374 -1.589144 1.455228
H 5.008383 -0.924655 0.905702
H 3.828556 0.131983 1.712332
H -1.666213 -2.059998 1.787703
H -0.166001 -2.351340 -1.423020
H -3.528170 -0.521254 2.522297
H -5.305331 0.332950 -1.807823
H -4.247659 -1.008493 -2.586563


