%chk=000117857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117857

0 1
 O   -2.804500       1.025100     -0.8343000    
 O   -1.986800       1.426900      0.3037000    
 O   -1.462100       3.164200      -1.129100    
 C    4.746900     -0.4606000     -0.3133000    
 C    3.640100      0.6019000     -0.5484000    
 C    2.689400      0.8461000      0.6303000    
 C    1.604500       1.862900      0.2603000    
 C    4.139200      -1.834100      1.6200000E-02
 C    5.571100     -0.5897000      -1.609700    
 C    5.691300     -3.8600001E-02  0.8243000    
 C   0.6304000       2.081900       1.421800    
 C  -0.4816000       3.067600       1.073700    
 C   -3.447500     -0.1753000     -0.4288000    
 C   -1.354200       2.582100     -5.7300001E-02
 C   -2.388800      -1.223800     -9.8099999E-02
 C   -4.337900      0.2011000      0.7646000    
 C   -4.309600     -0.6672000      -1.597500    
 C   -2.636000      -2.177000      0.8898000    
 C   -1.174200      -1.229300     -0.7841000    
 C   -1.668700      -3.135500       1.192000    
 C  -0.2069000      -2.187900     -0.4820000    
 C  -0.4542000      -3.140900      0.5061000    
 H    4.110800       1.556300     -0.8203000    
 H    3.041300      0.2991000      -1.418400    
 H    3.248400       1.216400       1.496300    
 H    2.205700     -9.0599999E-02  0.9265000    
 H    2.070000       2.817100     -1.4400000E-02
 H    1.062500       1.501000     -0.6211000    
 H    3.418600      -2.141000     -0.7498000    
 H    4.916400      -2.605500      6.7800000E-02
 H    3.625400      -1.832100      0.9828000    
 H    6.034400      0.3657000      -1.880700    
 H    4.941700     -0.9064000      -2.449000    
 H    6.373300      -1.328100      -1.499500    
 H    6.527200     -0.7407000      0.9235000    
 H    6.112800      0.9557000      0.6392000    
 H    5.175700     -1.1300000E-02   1.789700    
 H    1.181200       2.465100       2.289200    
 H   0.1969000       1.119800       1.721200    
 H  -5.2400000E-02   4.034600      0.7865000    
 H   -1.121600       3.250000       1.944300    
 H   -3.760000      0.4248000       1.669000    
 H   -5.047500     -0.5955000       1.014500    
 H   -4.924500       1.100200      0.5388000    
 H   -3.699900     -0.8490000      -2.490600    
 H   -4.839300      -1.594100      -1.351900    
 H   -5.049500      9.0800002E-02  -1.879400    
 H   -3.574400      -2.213800       1.433500    
 H  -0.9612000     -0.5077000      -1.568000    
 H   -1.862100      -3.880000       1.958900    
 H   0.7379000      -2.193200      -1.017500    
 H   0.2988000      -3.887500      0.7406000    


%chk=000117857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117857

0 1
O -3.443761 1.220376 -0.517920
O -2.410736 1.921428 0.379944
O -1.402546 2.663626 -1.629059
C 4.618520 -0.775326 0.149510
C 3.541027 0.241214 -0.347035
C 2.573586 0.805722 0.718642
C 1.526288 1.765232 0.108447
C 3.946492 -2.041616 0.744808
C 5.481558 -1.192750 -1.072692
C 5.540581 -0.127365 1.217146
C 0.561018 2.333479 1.171832
C -0.505429 3.312146 0.600640
C -3.557374 -0.207401 -0.051139
C -1.448368 2.632418 -0.388958
C -2.250905 -0.966419 -0.330745
C -4.022673 -0.234264 1.415356
C -4.680993 -0.688955 -1.007459
C -1.776444 -1.985421 0.532310
C -1.527355 -0.689035 -1.520926
C -0.609241 -2.717125 0.211998
C -0.360443 -1.415472 -1.838780
C 0.101667 -2.437442 -0.976325
H 4.064068 1.089839 -0.837636
H 2.938288 -0.252584 -1.138966
H 3.145122 1.342297 1.503122
H 2.040636 -0.025396 1.222389
H 2.042695 2.602031 -0.406470
H 0.951023 1.226531 -0.670034
H 3.264383 -2.509072 0.008831
H 4.710580 -2.790673 1.027291
H 3.356617 -1.804305 1.648935
H 5.989112 -0.315933 -1.518258
H 4.856959 -1.658374 -1.859003
H 6.258825 -1.923615 -0.779007
H 6.356646 -0.819708 1.498960
H 6.002323 0.801611 0.830835
H 4.984241 0.125739 2.138105
H 1.142679 2.881947 1.939474
H 0.047544 1.502333 1.692588
H -0.012063 4.134978 0.053453
H -1.094841 3.742352 1.429603
H -3.228938 0.120026 2.093061
H -4.320564 -1.254235 1.716196
H -4.899018 0.426038 1.527700
H -4.375034 -0.573086 -2.060346
H -4.877704 -1.758632 -0.818631
H -5.608446 -0.115960 -0.836651
H -2.310093 -2.217819 1.459978
H -1.867212 0.120050 -2.177425
H -0.256966 -3.502929 0.890004
H 0.186985 -1.183574 -2.759324
H 1.004185 -3.006927 -1.226471


