%chk=000171531.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171531

0 1
 O   -1.872600       2.701000      0.2133000    
 O   -1.766300      -3.234600     -0.2006000    
 O   -5.290900     -2.1000000E-02  0.2915000    
 O   0.8924000       2.866800     -0.6113000    
 O    5.363500      -1.304700      0.5478000    
 C   -1.179100     -0.8517000     -0.4859000    
 C   -1.995600      -1.926100      0.3220000    
 C   -1.735600      0.4827000     -0.1130000    
 C   0.3424000     -0.7426000     -0.1775000    
 C   -3.528400      -1.678100      0.2515000    
 C   -3.017500      0.7614000      0.4103000    
 C   -3.983100     -0.3030000      0.7801000    
 C    1.066300      0.5027000     -0.2188000    
 C   -1.316500      -1.075200      -2.010700    
 C   -1.064700       1.670900     -0.1361000    
 C    2.451400      0.5054000     -4.1700002E-02
 C   0.3322000       1.808900     -0.3694000    
 C    1.080500      -1.931700      4.1600000E-02
 C   -3.070000       2.133400      0.5540000    
 C    3.107100     -0.7007000      0.1762000    
 C    3.406500       1.662400     -2.4900001E-02
 C    2.463200      -1.919600      0.2265000    
 C    4.786400       1.035800      0.2306000    
 C    4.528300     -0.4425000      0.3445000    
 H   -1.679900      -1.923600       1.373600    
 H   -4.056700      -2.464900      0.8070000    
 H   -3.872700      -1.819400     -0.7823000    
 H   -4.046100     -0.3488000       1.873800    
 H   -2.364000      -1.065000      -2.330900    
 H  -0.8064000     -0.2902000      -2.583700    
 H  -0.8790000      -2.031200      -2.320100    
 H   0.5904000      -2.899500      5.3700000E-02
 H   -3.822900       2.821400      0.9105000    
 H    3.404600       2.187900     -0.9855000    
 H    3.156800       2.367000      0.7753000    
 H   -2.250100      -3.864400      0.3604000    
 H    3.004400      -2.844200      0.3940000    
 H    5.221500       1.410300       1.162000    
 H    5.467300       1.231300     -0.6031000    
 H   -5.249000      9.7000003E-03 -0.6797000    


%chk=000171531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171531

0 1
O -1.972450 2.766402 0.209242
O -1.619473 -3.224457 -0.089273
O -5.462460 -0.099886 0.234068
O 0.968236 2.946300 -0.373003
O 5.516029 -1.385806 0.429019
C -1.162529 -0.818415 -0.408527
C -1.986452 -1.881148 0.397029
C -1.777167 0.509565 -0.063466
C 0.358617 -0.756323 -0.126825
C -3.520923 -1.684679 0.217475
C -3.125002 0.782652 0.353711
C -4.085361 -0.324375 0.713422
C 1.061221 0.504927 -0.153330
C -1.305879 -1.077701 -1.953725
C -1.092118 1.710105 -0.109462
C 2.480731 0.491709 -0.027765
C 0.354381 1.839239 -0.254078
C 1.082617 -1.969090 0.028466
C -3.206884 2.164545 0.500721
C 3.165415 -0.735326 0.140469
C 3.461761 1.660438 -0.033913
C 2.482040 -1.968516 0.177919
C 4.861086 1.014976 0.171859
C 4.630536 -0.503561 0.268221
H -1.720720 -1.787430 1.473636
H -4.053152 -2.493982 0.753461
H -3.760805 -1.804776 -0.856272
H -4.221809 -0.351943 1.809780
H -2.359386 -1.017794 -2.276596
H -0.732256 -0.320946 -2.515131
H -0.917412 -2.079563 -2.195330
H 0.521683 -2.907381 0.024549
H -4.001987 2.842555 0.797365
H 3.386581 2.225183 -0.979134
H 3.205726 2.393117 0.751273
H -2.159235 -3.901083 0.391193
H 3.045492 -2.897825 0.313903
H 5.360091 1.364970 1.094011
H 5.557035 1.226674 -0.660086
H -5.437714 0.024949 -0.749876


