%chk=000044886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044886

0 1
 P  -1.3500000E-02   2.636000     -0.2952000    
 O  -0.8732000       1.322400      0.1246000    
 O    1.493800       2.164700      9.5100001E-02
 O  -0.4286000       3.851800      0.4921000    
 C   -4.288900     -0.1875000     -0.2877000    
 C    3.891700     -0.6974000     -0.2919000    
 C   -4.965800      -1.465000      0.2168000    
 C    5.317000     -0.9772000      0.1929000    
 C   -2.839700     -4.4500001E-02  0.1746000    
 C    3.356800      0.6645000      0.1477000    
 C   -6.408400      -1.620200     -0.2663000    
 C    5.861300      -2.329900     -0.2680000    
 C   -2.220000       1.254500     -0.3236000    
 C    1.927100      0.8837000     -0.3292000    
 C   -7.058200      -2.864700      0.3196000    
 C    7.248700      -2.591100      0.2984000    
 H   -4.865900      0.6804000      5.5399999E-02
 H   -4.320500     -0.1748000      -1.384300    
 H    3.227200      -1.485900      8.2699999E-02
 H    3.867800     -0.7578000      -1.387100    
 H   -4.948700      -1.465300       1.313900    
 H   -4.381200      -2.334500     -0.1083000    
 H    5.981500     -0.1806000     -0.1642000    
 H    5.333100     -0.9342000       1.289100    
 H   -2.786300     -7.6300003E-02   1.269800    
 H   -2.243500     -0.8943000     -0.1801000    
 H    3.998700       1.465600     -0.2388000    
 H    3.393200      0.7510000       1.240700    
 H   -6.993400     -0.7396000      2.3100000E-02
 H   -6.428800      -1.679000      -1.360500    
 H    5.903000      -2.359500      -1.362800    
 H    5.185600      -3.130800      5.3500000E-02
 H   -2.768200       2.118800      6.5600000E-02
 H   -2.229800       1.294100      -1.417900    
 H    1.275300      0.1133000      9.4700001E-02
 H    1.869500      0.8334000      -1.421600    
 H   -8.087700      -2.959000     -3.9700001E-02
 H   -6.511900      -3.766900      2.6799999E-02
 H   -7.083100      -2.816900       1.413000    
 H    7.621200      -3.561500     -4.4599999E-02
 H    7.956100      -1.821400     -2.6400000E-02
 H    7.230500      -2.601900       1.392900    
 H  -1.5300000E-02   2.599300      -1.706200    


%chk=000044886-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044886

0 1
P 0.007404 2.772442 -1.297845
O -1.152994 1.489284 -1.453996
O 1.315515 2.104249 -0.362923
O -0.503335 4.153384 -0.707276
C -4.165220 -0.192224 0.197587
C 3.898938 -0.713195 -0.346312
C -4.963909 -1.463520 -0.167607
C 5.130182 -0.992671 0.545286
C -3.003718 0.080684 -0.788492
C 3.162560 0.589682 0.044930
C -6.141530 -1.741718 0.794972
C 5.869654 -2.296276 0.167710
C -2.198569 1.321532 -0.402781
C 1.947304 0.845712 -0.847364
C -6.925714 -3.020668 0.430618
C 7.098155 -2.569200 1.062311
H -3.765984 -0.295660 1.228130
H -4.851930 0.679241 0.213922
H 3.198665 -1.572035 -0.279052
H 4.223036 -0.655919 -1.406667
H -4.280437 -2.338190 -0.171455
H -5.353022 -1.368158 -1.202740
H 5.835552 -0.138578 0.476817
H 4.810799 -1.047698 1.606760
H -2.324855 -0.793286 -0.823362
H -3.403296 0.220111 -1.811234
H 3.850412 1.453326 -0.026840
H 2.824267 0.532465 1.096842
H -5.753964 -1.826602 1.830851
H -6.828678 -0.871069 0.790775
H 6.188091 -2.240930 -0.893401
H 5.163565 -3.149037 0.236354
H -1.714035 1.198652 0.586139
H -2.830043 2.229606 -0.378941
H 1.214178 0.018357 -0.780362
H 2.253804 0.961536 -1.910113
H -7.762738 -3.195103 1.131332
H -7.348016 -2.949861 -0.589542
H -6.268954 -3.910572 0.460270
H 7.609499 -3.505973 0.774226
H 7.833441 -1.745873 0.987590
H 6.802921 -2.658263 2.124879
H 0.481502 2.717816 -2.661397


