%chk=000099742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099742

0 1
 P   -1.019100     -0.4269000       1.109800    
 O   -2.170300      -1.132700      0.1980000    
 O   -1.232200       1.150100      0.7618000    
 O   -1.251300     -0.6802000       2.579200    
 C   -4.399100      -1.251700     -0.6619000    
 C   -1.024100       3.080900     -0.6348000    
 C   -3.531100     -0.9508000      0.5517000    
 C   -1.327600       1.590300     -0.5826000    
 C   -5.881800      -1.059900     -0.3559000    
 C   0.3841000       3.387200     -0.1326000    
 C   0.4861000     -0.8890000      0.3510000    
 C   -6.742000      -1.319600      -1.582200    
 C   0.6985000       4.871500     -0.2268000    
 C    1.658300     -0.3842000      0.7635000    
 C    2.976300     -0.6992000      0.1886000    
 C    3.986800      0.2624000      0.1927000    
 C    3.214800      -1.959300     -0.3605000    
 C    5.235700     -3.5799999E-02 -0.3523000    
 C    4.463800      -2.257300     -0.9053000    
 C    5.474100      -1.295700     -0.9013000    
 H   -4.096200     -0.6021000      -1.492700    
 H   -4.209900      -2.278200      -1.000400    
 H   -1.143100       3.438100      -1.664100    
 H   -1.747500       3.619800     -1.0800000E-02
 H   -3.694300      7.6899998E-02  0.8926000    
 H   -3.769100      -1.630900       1.375900    
 H   -2.344800       1.407700     -0.9418000    
 H  -0.6323000       1.037300      -1.221400    
 H   -6.060400     -3.7099998E-02 -4.0000002E-03
 H   -6.186300      -1.738100      0.4495000    
 H    1.119600       2.827500     -0.7225000    
 H   0.4966000       3.068700      0.9101000    
 H   0.4525000      -1.590400     -0.4765000    
 H   -6.610400      -2.344500      -1.943500    
 H   -7.799900      -1.177800      -1.340100    
 H   -6.484600     -0.6329000      -2.394900    
 H   1.0000000E-03   5.459500      0.3783000    
 H    1.712300       5.067900      0.1362000    
 H   0.6351000       5.221300      -1.262200    
 H    1.659800      0.3403000       1.574500    
 H    3.816800       1.250000      0.6149000    
 H    2.455600      -2.736800     -0.3656000    
 H    6.022500      0.7130000     -0.3495000    
 H    4.651200      -3.239500      -1.329600    
 H    6.446800      -1.528200      -1.324900    


%chk=000099742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099742

0 1
P -0.796320 0.277146 0.690156
O -2.048660 -0.349351 -0.348604
O -0.837219 2.000208 0.398444
O -0.949792 -0.006147 2.248338
C -4.194267 -1.490041 -0.502405
C -1.032912 4.011607 -0.938802
C -3.454225 -0.319194 0.147614
C -0.725510 2.512882 -0.995092
C -5.686104 -1.529980 -0.092516
C -0.023058 4.814723 -0.089135
C 0.671704 -0.432630 -0.138311
C -6.442067 -2.708821 -0.742735
C -0.367127 6.317866 -0.031277
C 1.709437 -0.904388 0.609316
C 2.957384 -1.508281 0.110034
C 3.933862 -1.925182 1.058270
C 3.232431 -1.694093 -1.275362
C 5.149264 -2.506320 0.639861
C 4.445183 -2.274927 -1.693032
C 5.409670 -2.683020 -0.738296
H -4.110409 -1.404589 -1.603305
H -3.695918 -2.434498 -0.212198
H -1.041191 4.399237 -1.979387
H -2.054670 4.148620 -0.534272
H -3.903970 0.650782 -0.141336
H -3.455302 -0.401960 1.252329
H -1.444823 1.976017 -1.645240
H 0.305961 2.335743 -1.365338
H -6.174474 -0.575775 -0.377482
H -5.764187 -1.604445 1.010999
H 0.995017 4.680430 -0.509684
H -0.002886 4.388424 0.930537
H 0.639003 -0.464361 -1.232099
H -5.996241 -3.676641 -0.446304
H -7.505642 -2.719752 -0.442146
H -6.402171 -2.644937 -1.846456
H -1.366016 6.477822 0.416857
H 0.367472 6.874773 0.578604
H -0.376968 6.767527 -1.042856
H 1.613549 -0.837735 1.704071
H 3.731981 -1.789445 2.127783
H 2.495897 -1.387524 -2.026321
H 5.889205 -2.820689 1.383727
H 4.644068 -2.413154 -2.761549
H 6.351943 -3.134327 -1.067798


