%chk=000178767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178767

0 1
 P   0.3832000      -3.035400       1.197500    
 O   -2.726300     -0.9991000     -0.9947000    
 O   -5.393500      -2.545400      -1.128100    
 O  -0.8194000      -2.697800      0.1672000    
 O    2.604300      -1.559200      -2.748800    
 O  -0.8008000       4.811800      0.6929000    
 O   0.2003000      -1.912700       2.347000    
 O  -0.1047000      -4.395100       1.924600    
 O    1.749600      -3.093000      0.5794000    
 N    4.785200      0.2950000      0.5837000    
 N   -3.317800       1.221300     -0.4062000    
 N    1.368700      0.7840000     -0.1340000    
 N  -0.9127000      0.8760000     -0.2971000    
 N   -3.328300       3.399200      0.1362000    
 N   0.3430000       2.835900      0.2936000    
 C   -3.823500     -9.5799997E-02 -0.7747000    
 C   -4.541200      -2.209000     -3.5300002E-02
 C   -4.718100     -0.7402000      0.2743000    
 C   -3.084400      -2.298100     -0.4776000    
 C    2.702000       1.272200      0.1194000    
 C    2.984300       1.298900       1.651300    
 C    3.814700      0.4216000     -0.3657000    
 C    4.487200       1.006000       1.811000    
 C   -2.141300      -2.625100      0.6718000    
 C    4.211800     -0.2894000      -1.467400    
 C   -2.033100       1.597200     -0.2079000    
 C    5.802700     -0.4809000      0.1606000    
 C   0.2732000       1.557800     -3.1099999E-02
 C    5.476600     -0.8655000      -1.130900    
 C   -4.070500       2.353100     -0.1857000    
 C   -2.048200       2.921200      0.1212000    
 C    3.487400     -0.4329000      -2.743000    
 C  -0.8106000       3.623200      0.3965000    
 H   -4.348400      2.6100000E-02  -1.730000    
 H   -4.797000      -2.861300      0.8046000    
 H   -4.350300     -0.5227000       1.284300    
 H   -5.752200     -0.3907000      0.1963000    
 H   -2.940300      -3.014400      -1.294300    
 H    2.839800       2.275800     -0.3039000    
 H    2.699800       2.251200       2.110700    
 H    2.411300      0.5116000       2.160900    
 H    4.709900      0.3686000       2.669700    
 H    5.090200       1.918400       1.821700    
 H   -2.181000      -1.842800       1.436500    
 H   -2.413300      -3.584100       1.123300    
 H    1.263100     -0.2075000     -0.3304000    
 H    6.662600     -0.7015000      0.7775000    
 H    6.087200      -1.495400      -1.763500    
 H  -0.8973000     -0.1086000     -0.5412000    
 H   -5.148300       2.352200     -0.2756000    
 H   -5.232400      -3.479700      -1.344400    
 H    2.890700      0.4622000      -2.951000    
 H    4.194500     -0.5590000      -3.570200    
 H    2.171600      -1.575100      -3.619600    
 H   0.8790000      -1.839700       3.051400    
 H   0.5011000      -4.839500       2.555100    


%chk=000178767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178767

0 1
P 0.190346 -1.826569 2.494841
O -2.411752 -1.365943 -1.432869
O -5.012013 -3.452760 -0.755325
O -0.818600 -1.802635 1.023144
O 2.015849 -0.246561 -2.840295
O -1.007756 3.068768 2.674737
O 0.454292 -0.297995 3.032516
O -1.004224 -2.479853 3.592293
O 1.427255 -2.780703 2.197813
N 5.068199 -0.000908 0.093487
N -3.215650 0.792028 -0.762528
N 1.525616 0.270813 -0.131022
N -0.728233 0.628056 -0.690732
N -3.498663 2.348974 0.901089
N 0.164579 1.515756 1.351183
C -3.469073 -0.381286 -1.662073
C -4.395704 -2.204475 -0.295879
C -4.776060 -1.125740 -1.346287
C -2.833504 -2.244938 -0.281600
C 2.823105 0.690783 0.461010
C 3.340316 -0.130576 1.701073
C 3.928332 0.464222 -0.544145
C 4.892774 -0.148920 1.556099
C -2.280506 -1.804558 1.085801
C 4.158372 0.456140 -1.931301
C -1.954462 1.128699 -0.285582
C 6.057046 -0.284115 -0.840185
C 0.336621 0.823098 0.184714
C 5.511052 -0.019007 -2.108903
C -4.121332 1.584566 -0.003950
C -2.128148 2.054414 0.754318
C 3.146473 0.745664 -2.992197
C -1.012210 2.333361 1.662054
H -3.377937 -0.063631 -2.713675
H -4.776762 -1.939321 0.711742
H -5.599319 -0.476125 -1.014036
H -5.102132 -1.664199 -2.251852
H -2.438011 -3.238965 -0.545888
H 2.708844 1.757969 0.742548
H 3.008333 0.303842 2.656036
H 2.938595 -1.158521 1.651079
H 5.333222 -1.095335 1.911484
H 5.376635 0.691777 2.088422
H -2.666301 -0.806700 1.379213
H -2.626032 -2.532289 1.847158
H 1.599296 -0.246620 -1.033569
H 7.040129 -0.650249 -0.554475
H 6.022792 -0.159075 -3.060770
H -0.725485 -0.193338 -1.310926
H -5.193299 1.573093 -0.179711
H -4.905602 -4.155068 -0.064842
H 2.712905 1.761872 -2.902189
H 3.598236 0.632716 -3.995045
H 1.498662 -0.302264 -3.682729
H 0.487819 0.859010 2.239880
H -0.946823 -2.062478 4.488747


