%chk=000157809.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157809

0 1
 P    2.735300      0.8175000       1.481100    
 P    2.795200     -1.2100000E-02  -1.568300    
 O    1.417700       1.814200     -0.4822000    
 O    3.823800       1.949000       1.096900    
 O    3.634200     -0.5143000       1.669900    
 O    3.745200      -1.210900      -1.048900    
 O    3.818100       1.216400      -1.803400    
 O    1.853700       1.144100       2.649200    
 O    1.944100     -0.3455000      -2.758700    
 O   -3.024500     -0.7472000     -0.9618000    
 N  -0.5088000      -2.439400      0.7422000    
 C    1.839400      0.4992000     -8.9800000E-02
 C   0.5501000     -0.3195000      0.1356000    
 C   0.7752000      -1.766200      0.5645000    
 C   -1.066800      -2.830100     -0.5526000    
 C   -2.573200      -3.040500     -0.4381000    
 C  -0.3587000      -3.610200       1.606600    
 C   -3.284200      -1.765400     -5.4000001E-03
 C   -3.021700      0.5450000     -0.5044000    
 C   -3.824900      0.9036000      0.5783000    
 C   -2.216100       1.501700      -1.122100    
 C   -3.822600       2.218700       1.043100    
 C   -2.213700       2.816800     -0.6571000    
 C   -3.017000       3.175200      0.4255000    
 H  -1.8400000E-02 -0.2843000     -0.7972000    
 H  -6.8800002E-02  0.1923000      0.8843000    
 H    1.414000      -2.301400     -0.1481000    
 H    1.313200      -1.745000       1.519300    
 H  -0.8889000      -2.081300      -1.331300    
 H  -0.5936000      -3.748300     -0.9259000    
 H   -2.944300      -3.333800      -1.428500    
 H   -2.823300      -3.859500      0.2437000    
 H   0.9046000       1.733000      -1.304200    
 H   -1.318700      -4.095600       1.806300    
 H   0.3248000      -4.354600       1.181600    
 H   3.2200001E-02  -3.312700       2.586700    
 H   -2.949500      -1.492300       1.003100    
 H   -4.364200      -1.951500      2.4900001E-02
 H    4.407700       2.304300       1.800500    
 H    4.182300     -0.6057000       2.478200    
 H    4.323800      -1.671900      -1.692900    
 H    4.410600       1.198400      -2.584900    
 H   -4.488100      0.1972000       1.068600    
 H   -1.592900       1.230600      -1.969800    
 H   -4.452800       2.499900       1.881800    
 H   -1.586700       3.561600      -1.138600    
 H   -3.016200       4.199500      0.7865000    


%chk=000157809-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157809

0 1
P 2.870217 0.622486 1.542605
P 2.193005 0.347340 -1.609076
O 0.991743 1.840553 0.263778
O 3.822993 1.973967 0.909968
O 3.941652 -0.648157 1.136264
O 2.718264 -1.294936 -1.748555
O 3.609967 1.296305 -1.693672
O 2.454374 0.771269 3.067072
O 1.072207 0.751513 -2.666792
O -2.492495 -0.688623 -0.919525
N -0.359274 -2.855217 0.892756
C 1.524080 0.475552 0.204995
C 0.448178 -0.561748 0.540629
C 0.872735 -2.025970 0.807623
C -0.977247 -3.149928 -0.427175
C -2.522996 -3.057662 -0.404406
C -0.212742 -4.051431 1.743931
C -3.030265 -1.682751 0.038292
C -2.647112 0.673212 -0.621389
C -3.496829 1.175291 0.395850
C -1.866499 1.561380 -1.411767
C -3.572101 2.572419 0.607452
C -1.958147 2.953089 -1.185048
C -2.809918 3.467565 -0.174971
H -0.276709 -0.553668 -0.294878
H -0.091086 -0.188838 1.433520
H 1.578974 -2.379947 0.025160
H 1.397278 -2.090554 1.779519
H -0.601316 -2.427605 -1.172357
H -0.679309 -4.161506 -0.791079
H -2.910782 -3.290930 -1.414756
H -2.943466 -3.811005 0.291323
H 0.081583 1.875020 -0.155546
H -1.188661 -4.559648 1.847058
H 0.517597 -4.798005 1.343101
H 0.117830 -3.755045 2.755421
H -2.650907 -1.450388 1.052951
H -4.138044 -1.643976 0.028699
H 3.498037 2.860930 1.210673
H 4.708376 -0.775353 1.750663
H 3.100365 -1.523662 -2.634482
H 3.893352 1.693120 -0.802706
H -4.096683 0.500001 1.013091
H -1.211727 1.156969 -2.192402
H -4.232275 2.958071 1.392667
H -1.364886 3.632670 -1.807074
H -2.874732 4.546829 -0.003207


