%chk=000157718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157718

0 1
 O  -6.2199999E-02  0.4425000      0.4805000    
 O   -1.440700      0.2883000      -2.166400    
 O   -1.875000      0.5690000       1.965900    
 O    1.885400     -0.8029000       1.022200    
 O   -3.407900       2.187900      -1.931400    
 O    1.101800       2.761200       1.401000    
 O    3.525100       2.802300     -0.2135000    
 O    1.503500     -0.8592000      -1.320800    
 O    3.902100      0.4599000      -1.798600    
 O    2.499800      -3.233600     -0.2125000    
 O    4.336600      -2.041000      0.6197000    
 C   -2.028200     -0.8358000     -8.3499998E-02
 C   -2.483200      0.1211000      -1.209400    
 C   -3.320700      -1.491000      0.4437000    
 C   -3.614200     -0.6874000      -1.849800    
 C   -4.365700      -1.297000     -0.6706000    
 C   -1.160800     -0.2660000       1.048400    
 C   -2.956600       1.510200     -0.7827000    
 C   -3.773500     -0.8984000       1.744600    
 C    1.098000      0.3570000       1.306200    
 C    1.934300       1.629500       1.171400    
 C    2.594800       1.718400     -0.2038000    
 C   -3.075400      5.3399999E-02   2.373400    
 C    2.486500     -0.8198000     -0.2821000    
 C    3.368000      0.4265000     -0.4768000    
 C    3.328100      -2.095000     -0.3749000    
 H   -1.419700      -1.613100     -0.5726000    
 H   -3.144900      -2.561800      0.6049000    
 H   -3.199400      -1.485700      -2.479600    
 H   -4.273900     -0.1006000      -2.496600    
 H   -5.175900     -0.6268000     -0.3584000    
 H   -4.827300      -2.249200     -0.9543000    
 H  -0.7810000      -1.127900       1.618600    
 H   -2.131300       2.092500     -0.3614000    
 H   -3.775900       1.473700     -6.0699999E-02
 H   -4.718900      -1.230600       2.162800    
 H   0.7883000      0.2895000       2.357400    
 H    2.720700       1.640500       1.937000    
 H   -1.800300      0.7990000      -2.911900    
 H    1.864500       1.923400     -0.9951000    
 H    4.223800      0.3985000      0.2099000    
 H   -3.423500      0.5497000       3.268100    
 H    3.801900      -2.177100      -1.359400    
 H   -3.698400       3.072500      -1.650900    
 H   0.7114000       2.664600       2.286300    
 H    3.030600       3.609900      8.1000002E-03
 H    1.228100      -1.783200      -1.443700    
 H    4.431600       1.271700      -1.878800    
 H    1.802200      -3.011200      0.4269000    
 H    5.073400      -2.596200      0.3128000    


%chk=000157718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157718

0 1
O -0.170486 0.322370 0.848840
O -1.007373 -0.914112 -1.925352
O -2.109774 0.980665 1.874555
O 1.801290 -1.041387 0.641333
O -2.211276 1.358048 -2.800634
O 1.072514 2.151212 2.495685
O 3.504624 2.816079 0.914780
O 1.427771 0.094985 -1.466434
O 4.040644 1.218412 -1.364208
O 2.216297 -2.780920 -1.410545
O 4.270569 -2.000682 -0.424665
C -2.187418 -0.975710 0.252168
C -2.209652 -0.418502 -1.201096
C -3.689692 -1.227738 0.666473
C -3.483800 -1.076511 -1.799170
C -4.520233 -1.024305 -0.657680
C -1.405141 -0.215987 1.338250
C -2.224376 1.115533 -1.337451
C -4.179501 -0.301738 1.762228
C 1.092999 -0.116831 1.485179
C 1.901879 1.162423 1.801329
C 2.554493 1.758183 0.541444
C -3.448429 0.732565 2.247290
C 2.420369 -0.446317 -0.616228
C 3.375993 0.680883 -0.181659
C 3.128936 -1.663299 -1.262277
H -1.675256 -1.953021 0.154295
H -3.802011 -2.277859 0.997601
H -3.231148 -2.123037 -2.053231
H -3.815808 -0.566478 -2.718999
H -5.016775 -0.037068 -0.630268
H -5.310115 -1.787014 -0.768796
H -1.234174 -0.892982 2.205755
H -1.324341 1.537288 -0.858238
H -3.135663 1.549860 -0.884879
H -5.207322 -0.426340 2.120042
H 0.857159 -0.677306 2.409482
H 2.702686 0.902011 2.516134
H -1.071683 -0.505641 -2.832829
H 1.779462 2.151115 -0.144852
H 4.120658 0.249908 0.516667
H -3.806440 1.476220 2.964202
H 3.428957 -1.390877 -2.288482
H -1.779490 2.225456 -2.991162
H 0.171630 2.142033 2.068211
H 3.019847 3.471351 1.479375
H 0.587992 -0.475572 -1.525289
H 4.492418 2.053568 -1.075822
H 1.787066 -2.919221 -0.523343
H 4.807124 -2.691517 -0.888130


