%chk=000128476.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128476

0 1
 P    4.091200     -0.8281000       1.008100    
 P    3.686500       1.343500     -0.9376000    
 P    1.389700       3.022100     -0.1561000    
 O  -0.7483000      -2.206800       1.176400    
 O   7.1999997E-02  -4.003200      -1.146900    
 O   -1.264500      -1.979700      -2.373500    
 O    2.843200      -1.803300      0.6768000    
 O    3.609600      0.6310000      0.5092000    
 O    4.077300     -0.6911000       2.620100    
 O    5.406300      -1.270700      0.4353000    
 O   -6.285000      0.8313000     -0.4388000    
 O    2.875000       2.723300     -0.7183000    
 O    2.689900      0.4625000      -1.856300    
 O    5.069500       1.514000      -1.493400    
 O    1.226600       4.614400     -0.3815000    
 O   0.4220000       2.381400      -1.280800    
 O    1.144500       2.548400       1.246300    
 N   -2.447100     -0.7844000      0.3275000    
 N   -3.089700       1.153900       1.200700    
 N   -4.341100      -1.446000     -0.9446000    
 N   -5.534700       2.517800      0.8986000    
 C   0.4785000      -2.677200     -0.8088000    
 C  -0.6395000      -1.707000      -1.135900    
 C   0.5734000      -2.564000      0.7095000    
 C   -1.583300      -1.926400      3.6600001E-02
 C    1.550100      -1.488700       1.164500    
 C   -3.717000     -0.5710000     -0.1292000    
 C   -2.113400      0.2772000       1.122000    
 C   -4.092700      0.6309000      0.4234000    
 C   -5.348900       1.296200      0.2468000    
 H    1.401800      -2.466100      -1.355000    
 H  -0.2610000     -0.6778000      -1.149800    
 H   0.8449000      -3.524600       1.162100    
 H   -2.227800      -2.800400     -0.1080000    
 H    1.566300      -1.439500       2.258600    
 H    1.247000     -0.5009000      0.8017000    
 H   0.7935000      -4.602200     -0.8895000    
 H  -0.5790000      -1.934400      -3.061800    
 H   -1.153300      0.3677000       1.611500    
 H   -5.286900      -1.281500      -1.275500    
 H   -3.907100      -2.295300      -1.290200    
 H    4.828800     -0.2440000       3.064400    
 H   -4.811600       2.936300       1.475100    
 H   -6.408300       3.026600      0.8133000    
 H    2.631800      0.6568000      -2.815900    
 H   0.4287000       5.064300     -3.0600000E-02
 H  -0.5450000       2.357900      -1.118200    


%chk=000128476-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000128476

0 1
P 3.648055 -0.203371 0.388964
P 1.590870 1.731378 -1.511431
P 0.742576 3.105054 1.266120
O -0.682505 -2.824787 1.472650
O 0.177121 -4.797950 -0.696459
O -1.568540 -3.337508 -1.966398
O 2.708962 -1.675461 0.412761
O 2.589622 0.792069 -0.588793
O 3.438538 0.539120 1.858683
O 5.082860 -0.442779 -0.198994
O -4.024618 1.746179 -1.944593
O 1.200362 3.032887 -0.456301
O 0.167692 0.720118 -1.470907
O 2.028400 2.209015 -2.945321
O 1.542860 4.572509 1.597190
O -0.856214 3.278507 1.399392
O 1.355651 1.843376 2.057953
N -2.065740 -1.089230 0.535530
N -2.086141 1.036378 1.134101
N -3.357552 -0.986031 -1.555430
N -2.985868 3.338103 -0.570663
C 0.511414 -3.374344 -0.552692
C -0.791969 -2.634276 -0.965882
C 0.708038 -2.949899 0.911930
C -1.582190 -2.495704 0.387589
C 1.389526 -1.579581 1.067336
C -2.800326 -0.405992 -0.454531
C -1.646466 -0.182830 1.487804
C -2.798562 0.955153 -0.077086
C -3.318587 2.048867 -0.911951
H 1.377147 -3.093327 -1.177090
H -0.544488 -1.639409 -1.371405
H 1.219722 -3.717359 1.512573
H -2.450340 -3.177078 0.418337
H 1.505987 -1.332054 2.137781
H 0.795669 -0.789376 0.572145
H 0.992993 -5.351626 -0.746755
H -1.332863 -4.305826 -1.876120
H -1.046413 -0.430009 2.354851
H -3.892323 -0.332925 -2.143411
H -3.094706 -1.923041 -1.883660
H 2.569307 1.187186 1.984346
H -2.284667 3.560942 0.155781
H -3.366756 4.088252 -1.147051
H -0.522716 1.002055 -2.127238
H 2.003162 4.963629 0.810284
H -1.683083 1.964193 1.508361


