%chk=000155316.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155316

0 1
 O    1.841700      0.1249000     -0.6068000    
 O   0.6807000      -1.892800     -0.4514000    
 O    4.982700      -1.357600       1.585800    
 O    4.648900       1.513800       1.282100    
 O    2.345900      -2.664300       1.697300    
 O    3.545800       3.193100     -0.5173000    
 O    2.453800       2.054800      -2.162700    
 C    3.725100     -0.7073000       1.396900    
 C    3.956600      0.5249000      0.5217000    
 C    2.741300      -1.678500      0.7437000    
 C    2.630800       1.109600      5.0799999E-02
 C    1.487100     -0.9521000      0.2568000    
 C    2.847000       2.140900      -1.008900    
 C  -0.4922000      -1.422200     -0.9754000    
 C   -1.457200     -0.8797000     -0.1325000    
 C  -0.7108000      -1.489700      -2.347900    
 C   -2.652800     -0.3999000     -0.6676000    
 C   -1.906100      -1.009700      -2.882900    
 C   -2.877100     -0.4650000      -2.042900    
 C   -3.660000      0.1647000      0.2036000    
 C   -3.648700       1.529900      0.4905000    
 C   -4.643700     -0.6556000      0.7569000    
 C   -4.620200       2.074600       1.330300    
 C   -5.615200     -0.1108000       1.596600    
 C   -5.603400       1.254300       1.883200    
 H    3.370800     -0.4227000       2.395400    
 H    4.597500      0.2626000     -0.3291000    
 H    3.222300      -2.209200     -8.7399997E-02
 H    2.049700       1.568700      0.8602000    
 H   0.9284000     -0.5717000       1.122100    
 H    5.585700     -0.7124000       1.993300    
 H    3.154600      -3.100400       2.016000    
 H    4.091000       1.755900       2.040900    
 H   -1.292100     -0.8451000      0.9418000    
 H   4.3099999E-02  -1.912500      -3.006000    
 H    3.699900       3.881400      -1.199100    
 H   -2.080600      -1.060200      -3.953700    
 H   -3.803500     -9.5500000E-02  -2.476500    
 H   -2.889200       2.183700      6.7800000E-02
 H   -4.667600      -1.721800      0.5439000    
 H   -4.611100       3.137400       1.553700    
 H   -6.381000     -0.7493000       2.027300    
 H   -6.359800       1.678400       2.537000    


%chk=000155316-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155316

0 1
O 2.606268 0.299301 -1.154089
O 0.741359 -1.031277 -1.362390
O 3.576654 -1.480252 2.522140
O 4.981286 0.883288 1.737041
O 0.901447 -1.663109 1.514899
O 5.670410 2.150550 -0.559932
O 4.389794 1.931562 -2.488129
C 3.055866 -0.493894 1.574108
C 4.181015 0.154132 0.755563
C 2.038798 -1.236948 0.698101
C 3.518500 1.077368 -0.313792
C 1.484999 -0.295937 -0.385142
C 4.511220 1.736525 -1.272722
C -0.621012 -0.679775 -1.576789
C -1.511721 -0.514752 -0.496153
C -1.049674 -0.574701 -2.916281
C -2.875912 -0.204421 -0.744397
C -2.408823 -0.282142 -3.162614
C -3.311367 -0.090862 -2.093785
C -3.829451 -0.023362 0.389932
C -4.919535 0.884908 0.288342
C -3.673030 -0.748695 1.603800
C -5.822218 1.060767 1.358695
C -4.574004 -0.572677 2.675562
C -5.654400 0.332777 2.559552
H 2.533719 0.320561 2.125726
H 4.779813 -0.624776 0.238636
H 2.528636 -2.100959 0.205610
H 2.981310 1.892472 0.227675
H 0.871494 0.511291 0.072909
H 4.270641 -1.031125 3.070335
H 1.268011 -2.181687 2.277270
H 5.662647 1.412511 1.240594
H -1.139394 -0.643684 0.525732
H -0.326640 -0.713397 -3.724796
H 6.297625 2.606340 -1.183754
H -2.765231 -0.203679 -4.195464
H -4.366634 0.109042 -2.307946
H -5.043815 1.479381 -0.623900
H -2.857694 -1.474725 1.698605
H -6.649958 1.772154 1.259550
H -4.438609 -1.149181 3.597680
H -6.354289 0.468686 3.391518


