%chk=000016994.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016994

0 1
 P  -1.0300000E-02  -1.624200      0.1027000    
 O    1.481300      -1.078400      0.4145000    
 O  -0.9475000     -0.3188000      0.2979000    
 O  -0.4044000      -2.803700      0.9448000    
 C    3.391900      0.3521000      0.2750000    
 C   -2.964000      0.9610000      0.1864000    
 C    1.973600      9.2399999E-02 -0.2125000    
 C   -2.306000     -0.3815000     -9.8899998E-02
 C    3.981000       1.613100     -0.3507000    
 C   -4.439300      0.9597000     -0.2037000    
 C  -3.4299999E-02  -1.952200      -1.649400    
 C    5.381100       1.892500      0.1715000    
 C   -5.103100       2.287900      0.1225000    
 H    4.021600     -0.5165000      4.4900000E-02
 H    3.387900      0.4377000       1.369000    
 H   -2.428200       1.751800     -0.3536000    
 H   -2.853300       1.198300       1.252000    
 H    1.323900      0.9371000      3.7799999E-02
 H    1.971700     -4.4599999E-02  -1.297500    
 H   -2.802800      -1.182900      0.4579000    
 H   -2.366800     -0.6054000      -1.168000    
 H    3.338600       2.473700     -0.1303000    
 H    4.016700       1.505900      -1.441000    
 H   -4.964500      0.1572000      0.3272000    
 H   -4.540500      0.7592000      -1.276600    
 H   0.1251000      -1.043200      -2.235100    
 H   0.7474000      -2.671800      -1.908900    
 H  -0.9952000      -2.381100      -1.947700    
 H    5.373400       2.039100       1.256300    
 H    6.058100       1.063700     -5.8699999E-02
 H    5.784200       2.799000     -0.2909000    
 H   -5.049000       2.500700       1.194900    
 H   -4.620900       3.109900     -0.4160000    
 H   -6.158500       2.265300     -0.1664000    


%chk=000016994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016994

0 1
P -0.047525 -1.301428 -0.766373
O 1.482916 -0.486913 -0.939466
O -1.275809 -0.208374 -1.344111
O -0.323086 -1.841788 0.712791
C 3.515562 0.437096 0.021644
C -3.470472 0.710535 -0.786381
C 2.002601 0.305647 0.208494
C -2.001583 0.642664 -0.360283
C 4.163218 1.287625 1.140876
C -4.293090 1.653914 0.123913
C 0.051245 -2.464525 -2.192789
C 5.690852 1.425472 0.965224
C -5.777592 1.726306 -0.294132
H 3.718958 0.895722 -0.965169
H 3.964994 -0.574343 0.007291
H -3.900507 -0.309137 -0.761249
H -3.525085 1.060168 -1.835509
H 1.752178 -0.212522 1.155141
H 1.514541 1.301277 0.200252
H -1.535918 1.647468 -0.379154
H -1.895768 0.206752 0.653187
H 3.944317 0.829716 2.126812
H 3.700463 2.295578 1.153733
H -3.851315 2.670971 0.096426
H -4.221418 1.308993 1.175368
H 0.239352 -1.883872 -3.107723
H 0.875129 -3.172360 -2.020718
H -0.902550 -3.004921 -2.280417
H 6.182903 0.435097 0.985448
H 5.937482 1.903161 -0.001518
H 6.134454 2.039988 1.769741
H -5.879543 2.091660 -1.333279
H -6.252932 0.728999 -0.241060
H -6.348073 2.408376 0.362389


