%chk=000104322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104322

0 1
 P   0.4234000      1.7000000E-03  0.2246000    
 O  -0.2093000      -1.296300     -0.5123000    
 O    1.923300      7.2200000E-02 -0.3751000    
 O  -0.3209000       1.233600     -0.5121000    
 O   0.3293000     -3.4000000E-03   1.724800    
 C   -3.743900      -1.363700      0.4303000    
 C   -4.710400     -0.5790000       1.251500    
 C   -1.508900      -1.691800     -0.4266000    
 C   -2.412100     -0.9583000      0.3426000    
 C   -4.172600      -2.502600     -0.2515000    
 C   -1.937500      -2.830700      -1.108500    
 C   -3.269400      -3.235900      -1.021100    
 C   -5.401500      0.5174000      0.4450000    
 C    2.904400     -0.8539000     -0.1460000    
 C  -2.8100001E-02   2.556400     -0.3190000    
 C    2.637800      -1.957400      0.6578000    
 C   0.9794000       2.917700      0.5697000    
 C    4.160900     -0.6830000     -0.7181000    
 C  -0.7417000       3.528800      -1.012100    
 C    3.638700      -2.900400      0.8920000    
 C    1.276500       4.266100      0.7671000    
 C    5.161600      -1.626000     -0.4841000    
 C  -0.4442000       4.877300     -0.8147000    
 C    4.900500      -2.734800      0.3210000    
 C   0.5648000       5.246000      7.4800000E-02
 H   -5.467700      -1.248200       1.678900    
 H   -4.195500     -0.1298000       2.110000    
 H   -2.114300     -6.6299997E-02  0.8827000    
 H   -5.208000      -2.827800     -0.1932000    
 H   -1.238300      -3.405900      -1.709400    
 H   -3.603200      -4.122300      -1.552500    
 H   -4.674000       1.229500      4.0700000E-02
 H   -6.101400       1.069400       1.080200    
 H   -5.963700      9.6400000E-02 -0.3954000    
 H    1.673700      -2.130000       1.121500    
 H    1.560200       2.193600       1.128700    
 H    4.368500      0.1793000      -1.345400    
 H   -1.528900       3.245900      -1.705300    
 H    3.435900      -3.764200       1.518500    
 H    2.062400       4.553900       1.459400    
 H    6.144200      -1.496900     -0.9285000    
 H  -0.9986000       5.640100      -1.353500    
 H    5.679700      -3.469200      0.5033000    
 H   0.7964000       6.295900      0.2285000    


%chk=000104322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104322

0 1
P 0.327554 0.251493 -0.180707
O -0.405716 -1.028490 -1.067614
O 1.976374 0.026957 -0.625149
O -0.069554 1.593064 -1.186844
O -0.009482 0.368270 1.368380
C -3.780213 -1.926960 0.359706
C -4.482428 -2.052920 1.704591
C -1.799005 -1.363000 -0.949838
C -2.421388 -1.522911 0.304199
C -4.469416 -2.177498 -0.854307
C -2.475115 -1.601904 -2.162368
C -3.822083 -2.020073 -2.101420
C -4.964068 -0.679529 2.246238
C 2.836174 -0.942858 -0.010386
C 0.253324 2.949302 -0.847103
C 2.857299 -1.160744 1.384426
C 0.013524 3.480203 0.438829
C 3.716613 -1.609971 -0.885804
C 0.752006 3.739009 -1.902636
C 3.791422 -2.086454 1.903536
C 0.293447 4.847865 0.662056
C 4.650929 -2.521250 -0.346001
C 1.013733 5.106121 -1.662805
C 4.688910 -2.765026 1.047218
C 0.789254 5.663077 -0.381630
H -5.351035 -2.731575 1.610662
H -3.797309 -2.508699 2.444980
H -1.859851 -1.332497 1.225435
H -5.516858 -2.499975 -0.821306
H -1.949552 -1.465782 -3.111485
H -4.366077 -2.219882 -3.030971
H -4.112360 0.012361 2.374923
H -5.463977 -0.796965 3.225100
H -5.678245 -0.208114 1.547144
H 2.165473 -0.625031 2.041940
H -0.374371 2.842567 1.239233
H 3.659545 -1.408412 -1.959228
H 0.924050 3.280328 -2.880486
H 3.818459 -2.268936 2.983350
H 0.116355 5.274262 1.655433
H 5.342503 -3.043234 -1.016081
H 1.398425 5.731273 -2.475808
H 5.411421 -3.476430 1.460940
H 0.998808 6.722369 -0.199140


