%chk=000147591.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147591

0 1
 P   -3.915700      0.4995000       1.068200    
 P   -3.340900      -1.461800      -1.050300    
 P  -0.8514000      -2.929700     -0.4577000    
 O   0.7478000       2.378800       1.217000    
 O  -0.2637000       4.250700     -0.8956000    
 O    1.126200       2.408200      -2.348900    
 O   -2.792400       1.629000      0.7843000    
 O    4.115300       1.757100      -1.038600    
 O   -3.295000     -0.8558000      0.4455000    
 O   -3.834900      0.2443000       2.663700    
 O   -5.289000      0.8355000      0.5635000    
 O   -2.377900      -2.755800     -0.9590000    
 O    5.828200      -2.398200      0.2194000    
 O   -2.476100     -0.4095000      -1.921100    
 O   -4.714500      -1.742200      -1.584600    
 O  -0.9443000      -2.594000       1.120700    
 O  -0.6212000      -4.529000     -0.4896000    
 O   0.1544000      -2.121400      -1.223100    
 N    2.355800      0.9898000      0.2425000    
 N    4.370800     -0.2932000     -9.9200003E-02
 N    4.625600      -2.394300      0.8646000    
 C  -0.5802000       2.875500     -0.6807000    
 C   0.5739000       1.997000      -1.115200    
 C  -0.6183000       2.632100      0.8218000    
 C    1.544700       2.156700      4.2100001E-02
 C   -1.457500       1.423700       1.214800    
 C    1.858200     -4.0300000E-02   1.025600    
 C    3.644000      0.8612000     -0.3359000    
 C    2.540800      -1.158600       1.264100    
 C    3.887000      -1.255200      0.6420000    
 H   -1.509000       2.660900      -1.216200    
 H   0.2312000      0.9605000      -1.218200    
 H  -0.9710000       3.518000       1.362200    
 H    2.193100       3.029700     -0.1005000    
 H   -1.429700       1.282000       2.300400    
 H   -1.084500      0.5063000      0.7530000    
 H   -1.016800       4.775800     -0.5750000    
 H    1.908900       1.856300      -2.516500    
 H   0.8794000      6.5600000E-02   1.467000    
 H    2.163500      -1.965700       1.877100    
 H   -4.518600     -0.3154000       3.089700    
 H    4.333800      -3.216300       1.379800    
 H    6.433500      -2.688300      0.9226000    
 H   -2.429000     -0.5233000      -2.894100    
 H  -0.1203000      -2.557700       1.650500    
 H   0.2726000      -4.883900     -0.2965000    


%chk=000147591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147591

0 1
P -4.182822 0.554673 1.161157
P -3.205178 -1.577962 -1.025157
P -0.229615 -2.534382 -0.432937
O 0.650187 2.453608 1.233832
O -0.462638 4.124774 -1.124898
O 1.060359 2.390738 -2.363283
O -2.996447 1.755919 0.974644
O 3.212071 0.918039 -1.676460
O -3.450435 -0.922656 0.522832
O -3.988839 0.155756 2.813706
O -5.602362 0.911487 0.587959
O -1.930752 -2.687360 -0.666976
O 5.194692 -2.950384 -0.077341
O -2.434980 -0.207566 -1.725125
O -4.384861 -2.268370 -1.801626
O -0.119966 -2.110237 1.204484
O 0.220405 -4.177101 -0.380441
O 0.508935 -1.588726 -1.471846
N 2.213074 0.809343 0.443323
N 3.799780 -0.859564 -0.268172
N 4.359967 -2.620184 1.034077
C -0.718197 2.739582 -0.749339
C 0.508578 1.867847 -1.128611
C -0.769862 2.665214 0.782299
C 1.466900 2.067098 0.091605
C -1.580139 1.494626 1.359367
C 2.067531 0.196142 1.660405
C 3.114177 0.286954 -0.581156
C 2.707091 -1.007228 1.948029
C 3.605828 -1.493285 0.925281
H -1.650164 2.364569 -1.210297
H 0.237831 0.798637 -1.225403
H -1.105595 3.625766 1.202214
H 2.210758 2.855933 -0.124973
H -1.506966 1.473877 2.460190
H -1.255165 0.522839 0.945280
H 0.119004 4.083249 -1.936293
H 1.957805 1.950619 -2.471125
H 1.415459 0.710285 2.370824
H 2.653409 -1.449056 2.945446
H -4.418189 -0.687755 3.107479
H 4.412146 -3.289285 1.797618
H 4.949329 -2.154417 -0.695006
H -2.271186 -0.234043 -2.702788
H 0.791806 -1.784203 1.492167
H 0.164035 -4.669208 -1.239365


