%chk=000155808.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155808

0 1
 P   -3.866100      0.5258000      0.9951000    
 P   -3.239600      -1.537800      -1.008600    
 P  -0.6955000      -2.880700     -0.3546000    
 O   0.7247000       2.566200      0.9870000    
 O  -0.4345000       4.265000      -1.280700    
 O   -2.785300       1.674400      0.6333000    
 O   -3.203200     -0.8421000      0.4478000    
 O    4.087700       1.875500      -1.252600    
 O   -3.763600      0.3695000       2.602000    
 O   -5.254200      0.7834000      0.4850000    
 O   -2.231100      -2.789900     -0.8501000    
 O   -2.419300     -0.5102000      -1.949100    
 O    5.865500      -2.188300      0.1996000    
 O   -4.606800      -1.896900      -1.511400    
 O  -0.7877000      -2.454500       1.201900    
 O  -0.4096000      -4.470000     -0.2936000    
 O   0.2752000      -2.085400      -1.176900    
 N    2.349000       1.148000      7.8699999E-02
 N    4.377500     -0.1216000     -0.2136000    
 N    4.667400      -2.168000      0.8525000    
 C  -0.6355000       2.898500     -0.9262000    
 C  -0.6473000       2.752700      0.5891000    
 C   0.5681000       2.083200      -1.339000    
 C    1.521600       2.291300     -0.1738000    
 C   -1.440800       1.541500       1.061700    
 C    1.869300      0.1541000      0.9157000    
 C    3.633500       1.009700     -0.5024000    
 C    2.568700     -0.9416000       1.204800    
 C    3.911900      -1.051400      0.5786000    
 H   -1.552500       2.567000      -1.421300    
 H   -1.027500       3.658500       1.074500    
 H    1.015900       2.400600      -2.286000    
 H   0.2854000       1.027900      -1.434800    
 H    2.150000       3.171800     -0.3528000    
 H   -1.397900       1.461400       2.152900    
 H   -1.043300      0.6139000      0.6434000    
 H   -1.207400       4.763600     -0.9647000    
 H   0.8965000      0.2712000       1.365600    
 H    2.211000      -1.719500       1.865300    
 H   -4.423700     -0.1871000       3.067400    
 H    4.390300      -2.966800       1.410400    
 H   -2.375800     -0.6804000      -2.914000    
 H    6.479400      -2.434700      0.9120000    
 H   3.6300000E-02  -2.373900       1.726300    
 H   0.4976000      -4.781700     -8.8600002E-02


%chk=000155808-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155808

0 1
P -4.006958 0.616651 0.096818
P -3.265837 -2.386429 0.680220
P -0.436680 -2.364095 -0.529283
O 0.699562 2.422648 1.233688
O 0.072680 4.432119 -1.102790
O -2.863609 1.838228 0.325096
O -3.438517 -0.676539 1.106720
O 4.054199 1.681646 -1.089522
O -5.328266 1.351413 0.862360
O -4.338578 0.026927 -1.359709
O -1.573392 -2.619639 0.824051
O -3.392363 -2.383551 -1.036019
O 5.999798 -2.326675 0.203400
O -4.174482 -3.332312 1.540224
O 0.971170 -3.037902 0.077265
O -0.910844 -3.507907 -1.677805
O -0.396002 -0.826947 -0.934290
N 2.460306 0.954005 0.476778
N 4.421610 -0.378383 -0.015722
N 4.812996 -2.358204 1.000222
C -0.300464 3.026996 -0.895621
C -0.611222 2.741588 0.594906
C 0.960095 2.189174 -1.166317
C 1.712886 2.221426 0.184114
C -1.480952 1.501770 0.832288
C 2.021534 0.024538 1.373421
C 3.720561 0.779764 -0.278880
C 2.704758 -1.177604 1.581934
C 3.958713 -1.306699 0.868378
H -1.151049 2.739484 -1.543027
H -1.023213 3.624153 1.113332
H 1.563728 2.628789 -1.972134
H 0.689510 1.153554 -1.432113
H 2.447028 3.042055 0.224533
H -1.563636 1.284280 1.909774
H -1.084126 0.631573 0.281561
H -0.722243 5.011492 -0.984364
H 1.114451 0.284964 1.924592
H 2.439217 -1.823527 2.423303
H -6.218122 1.013799 0.579230
H 4.701347 -3.215536 1.535171
H -3.853095 -1.539472 -1.427031
H 5.836033 -1.417859 -0.271797
H 1.585882 -2.359603 0.536007
H -1.880116 -3.391952 -1.917163


