%chk=000158818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158818

0 1
 O   -2.580300     -0.4781000       1.321600    
 O   -4.937100      0.6559000      -1.276100    
 O   -4.159200      -1.951200      -2.198000    
 O  -0.6623000     -0.2964000     -5.9900001E-02
 O   -1.441600      -2.606500      -1.449500    
 O   -3.462100       1.779300       2.578300    
 O  -8.8600002E-02  0.3827000       2.054200    
 O  -0.5986000       3.051800      3.4100000E-02
 O    3.743500       3.767200      -1.786200    
 O    2.812600      -3.882100      -1.115900    
 C   -4.227400     -0.2845000     -0.4734000    
 C   -3.327500      -1.110300      -1.395100    
 C   -3.405000      0.4430000      0.5988000    
 C   -2.376900      -1.982300     -0.5772000    
 C   -1.644800      -1.170500      0.4925000    
 C   -4.292500       1.144900       1.623200    
 C   6.4499997E-02  0.4408000      0.8384000    
 C    1.035100       1.296000      0.1539000    
 C    2.322200      0.8369000     -0.1187000    
 C   0.6554000       2.582900     -0.2228000    
 C    2.745600     -0.4967000      0.2627000    
 C    3.233200       1.667700     -0.7707000    
 C    1.566500       3.413900     -0.8749000    
 C    2.855500       2.956200      -1.148800    
 C    2.572500      -1.559000     -0.6215000    
 C    3.324400     -0.7099000       1.511900    
 C    2.980400      -2.841600     -0.2548000    
 C    3.732200      -1.992200       1.878600    
 C    3.560300      -3.058100      0.9954000    
 H   -4.967000     -0.9408000      3.3000000E-03
 H   -2.768600     -0.4677000      -2.086600    
 H   -2.763600       1.204100      0.1368000    
 H   -2.957100      -2.780400     -9.7900003E-02
 H   -1.107400      -1.884000       1.130400    
 H   -4.930500      0.4318000       2.155700    
 H   -4.926100       1.903600       1.154900    
 H   -5.556200      0.1592000      -1.836800    
 H   -4.659700      -1.379300      -2.803800    
 H  -0.8826000      -1.909000      -1.833000    
 H   -2.899200       1.095400       2.979900    
 H    4.241500       1.322700     -0.9902000    
 H    1.273500       4.418400      -1.170600    
 H    2.119100      -1.393500      -1.596600    
 H    3.464700      0.1101000       2.212000    
 H    4.183400      -2.161100       2.852100    
 H  -0.6743000       3.961300     -0.3018000    
 H    3.879900      -4.054800       1.287000    
 H    3.314500       4.619900      -1.973400    
 H    2.395900      -3.553100      -1.930800    


%chk=000158818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158818

0 1
O -2.898607 -0.280626 1.326999
O -5.170949 0.217965 -1.589579
O -3.851644 -2.239009 -2.250486
O -0.816576 -0.032120 0.112100
O -1.073399 -2.473396 -1.144592
O -4.103253 2.222271 2.052800
O 0.279323 0.125920 2.174451
O -0.549506 3.007323 0.301293
O 4.008807 4.099000 -1.242355
O 1.388830 -3.869899 -0.379541
C -4.342424 -0.525732 -0.642544
C -3.204631 -1.255212 -1.375972
C -3.739117 0.484202 0.345170
C -2.232089 -1.932921 -0.392454
C -1.788121 -0.974894 0.741513
C -4.760035 1.229982 1.201613
C 0.216226 0.452080 0.976920
C 1.173291 1.351308 0.254047
C 2.515995 0.942799 -0.022014
C 0.781340 2.687013 -0.003492
C 2.921707 -0.484108 0.150286
C 3.436851 1.893091 -0.517771
C 1.698879 3.636327 -0.506332
C 3.031473 3.225266 -0.746802
C 2.017921 -1.497838 -0.250911
C 4.171628 -0.864042 0.701123
C 2.301396 -2.866467 -0.046748
C 4.475431 -2.237372 0.858674
C 3.551922 -3.243708 0.501033
H -4.947676 -1.280100 -0.093795
H -2.648943 -0.503807 -1.981866
H -3.087572 1.209077 -0.179125
H -2.715156 -2.816503 0.055959
H -1.289330 -1.496070 1.573960
H -5.341484 0.499657 1.804134
H -5.446684 1.788757 0.547792
H -5.448431 -0.415167 -2.301554
H -3.153546 -2.772968 -2.708523
H -0.622516 -1.690216 -1.560249
H -3.387010 1.756414 2.557767
H 4.460190 1.602046 -0.766952
H 1.382438 4.670356 -0.698259
H 1.088131 -1.203776 -0.740412
H 4.879815 -0.099897 1.038276
H 5.439405 -2.529013 1.290022
H -0.731440 3.975094 0.214455
H 3.774307 -4.305097 0.644600
H 3.646530 5.008950 -1.381411
H 0.488503 -3.492342 -0.610546


