%chk=000151095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151095

0 1
 O  -6.9999998E-04  0.8389000       2.558400    
 O  -8.9999998E-04  -2.204700     -0.1524000    
 O   9.9999997E-05   2.828700       3.741500    
 O    4.705000      -2.624700      0.1271000    
 O   -4.706700      -2.623300      0.1263000    
 O   3.0000000E-03   2.512500      -3.533900    
 O   3.4000000E-03   4.766200      -3.237600    
 O    4.897600      -1.517000      -1.926000    
 O   -4.897000      -1.513700      -1.926100    
 C  -3.9999999E-04  0.4043000       1.161600    
 C    0.000000       1.713200      0.4397000    
 C    1.258100     -0.4050000      0.9183000    
 C   -1.259200     -0.4045000      0.9180000    
 C    0.000000       2.752000       1.353000    
 C    1.179900      -1.640500      0.2657000    
 C   -1.181500      -1.640200      0.2658000    
 C  -1.9999999E-04   2.203200       2.700300    
 C   3.9999999E-04   1.981000     -0.9202000    
 C    2.525400      6.5800004E-02   1.304900    
 C   -2.526400      6.6699997E-02   1.304500    
 C   3.9999999E-04   4.081600      0.9735000    
 C    2.335100      -2.382000     -3.8999999E-03
 C   -2.336900      -2.381800     -3.3000000E-03
 C   6.9999998E-04   3.316000      -1.334700    
 C    3.677400     -0.6774000       1.042200    
 C   -3.678700     -0.6764000       1.042300    
 C   1.0000000E-03   4.359300     -0.3936000    
 C    3.582300      -1.900600      0.3859000    
 C   -3.584000      -1.900000      0.3867000    
 C   2.0999999E-03   3.629000      -2.755400    
 C    5.302900      -2.334500      -1.110400    
 C   -5.302300      -2.333200      -1.112400    
 C    6.526800      -3.180400      -1.300800    
 C   -6.526500      -3.178100      -1.304700    
 H   5.0000002E-04   1.149400      -1.617300    
 H    2.630400       1.022100       1.811000    
 H   -2.631100       1.023300       1.810200    
 H   6.0000003E-04   4.883700       1.702700    
 H    2.260000      -3.339300     -0.5146000    
 H   -2.262000      -3.339100     -0.5140000    
 H    4.645600     -0.2923000       1.350400    
 H   -4.646900     -0.2908000       1.350200    
 H   1.6000000E-03   5.398100     -0.7146000    
 H   4.3000001E-03   2.733900      -4.489600    
 H    7.248400      -2.969000     -0.5078000    
 H    6.986500      -2.942000      -2.264200    
 H    6.249000      -4.237200      -1.297800    
 H   -6.251100      -4.235500      -1.290000    
 H   -6.977800      -2.948000      -2.274000    
 H   -7.253600      -2.958100     -0.5192000    


%chk=000151095-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151095

0 1
O -0.001506 0.517841 2.312702
O -0.001256 -2.517125 0.050290
O -0.001748 2.280434 3.850289
O 4.706365 -2.791680 -0.328475
O -4.708415 -2.785904 -0.338892
O 0.005172 3.413246 -3.556512
O 0.005791 5.596297 -2.762525
O 6.484592 -1.239717 -0.288796
O -6.485947 -1.233437 -0.289585
C -0.000250 0.359946 0.753738
C 0.000961 1.817774 0.296280
C 1.256198 -0.409486 0.399859
C -1.256951 -0.408092 0.397707
C 0.000547 2.684998 1.406640
C 1.205334 -1.797808 0.120541
C -1.207141 -1.796422 0.118362
C -0.000979 1.889730 2.669267
C 0.002382 2.327978 -1.011070
C 2.533439 0.201878 0.421359
C -2.533551 0.204736 0.417023
C 0.001530 4.086979 1.259137
C 2.368467 -2.551500 -0.118090
C -2.370687 -2.548789 -0.122599
C 0.003380 3.738483 -1.174313
C 3.719666 -0.515380 0.184569
C -3.720122 -0.511151 0.177995
C 0.002960 4.610990 -0.048203
C 3.617721 -1.906399 -0.081417
C -3.619215 -1.902253 -0.088097
C 0.004902 4.364821 -2.528361
C 6.069817 -2.407176 -0.413903
C -6.071861 -2.400569 -0.420034
C 6.901062 -3.640493 -0.679897
C -6.904655 -3.633084 -0.684912
H 0.002742 1.677477 -1.889528
H 2.604320 1.272562 0.640007
H -2.603563 1.275476 0.635679
H 0.001182 4.734093 2.141523
H 2.299466 -3.620542 -0.330253
H -2.302415 -3.617839 -0.334944
H 4.689764 -0.020927 0.208369
H -4.689825 -0.015843 0.200420
H 0.003772 5.690374 -0.230105
H 0.006166 3.880847 -4.434375
H 6.752559 -4.380194 0.125605
H 7.962676 -3.362359 -0.741047
H 6.583220 -4.116239 -1.623774
H -6.561344 -4.135088 -1.605607
H -7.961681 -3.348426 -0.783887
H -6.788440 -4.353435 0.143543


