%chk=000060852.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060852

0 1
 P    2.568200     -0.6734000      -1.273600    
 P    1.783400       1.811800      0.5149000    
 O    3.220200     -0.1722000       1.157100    
 O    3.286500      -2.074500     -0.9080000    
 O    3.805800      0.2810000      -1.691400    
 O    3.131800       2.477800     -7.4699998E-02
 O    1.890700       2.068500       2.106600    
 O    1.475500     -0.7592000      -2.296600    
 O   0.5080000       2.301300     -0.1065000    
 N   -1.375500      -1.642000       1.003800    
 C    2.045700      4.8000002E-03  0.3509000    
 C   0.9388000     -0.8499000       1.005000    
 C  -0.4112000     -0.8038000      0.2960000    
 C   -2.683200      -1.583400      0.3505000    
 C   -3.192900     -0.1437000      0.3120000    
 C   -4.570600     -6.2300000E-02 -0.3489000    
 C  -0.9010000      -3.024400       1.071400    
 C   -5.068600       1.381100     -0.4212000    
 C   -6.451700       1.462600      -1.047100    
 H    1.330900      -1.871900       1.039400    
 H   0.8191000     -0.5357000       2.050500    
 H  -0.7152000      0.2405000      0.3190000    
 H  -0.3260000      -1.114600     -0.7479000    
 H   -3.402700      -2.191500      0.9131000    
 H   -2.635700      -1.992300     -0.6675000    
 H   -2.544100      0.5056000     -0.2829000    
 H   -3.242700      0.2698000       1.326800    
 H   -4.521400     -0.4835000      -1.360500    
 H   -5.285200     -0.6699000      0.2196000    
 H   -1.699600      -3.685300       1.431200    
 H  -0.5731000      -3.405900      9.7499996E-02
 H  -9.5399998E-02  -3.145600       1.802000    
 H    3.455300      -1.115500       1.142500    
 H   -4.370900       1.987800      -1.010100    
 H   -5.104800       1.813500      0.5855000    
 H    3.624200      -2.639000      -1.635600    
 H    4.237300      0.1442000      -2.561600    
 H    3.196400       3.455300     -0.1251000    
 H    1.728600       2.971300       2.454200    
 H   -6.787900       2.503300      -1.089600    
 H   -6.444400       1.065900      -2.067300    
 H   -7.181300      0.8936000     -0.4621000    


%chk=000060852-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060852

0 1
P 3.047895 -1.121805 -0.782389
P 1.800585 1.532894 0.128522
O 2.959078 -0.285599 1.870164
O 4.404975 0.043883 -0.676713
O 2.271145 -0.713647 -2.246992
O 3.318438 2.304899 0.426007
O 0.805990 2.237891 1.316080
O 3.488754 -2.638629 -0.681091
O 1.293841 1.626982 -1.395786
N -1.409156 -1.941277 0.512851
C 2.101993 -0.280731 0.724398
C 0.823285 -1.035649 1.101115
C -0.230835 -1.216075 -0.017098
C -2.692145 -1.548514 -0.129513
C -3.181355 -0.149015 0.296198
C -4.554831 0.208202 -0.317454
C -1.205473 -3.406980 0.525377
C -5.049544 1.614877 0.088719
C -6.430698 1.962868 -0.507555
H 1.153712 -2.022182 1.476416
H 0.354265 -0.502632 1.947185
H -0.558777 -0.225793 -0.379559
H 0.213299 -1.748422 -0.893759
H -3.452077 -2.291848 0.180533
H -2.633127 -1.602393 -1.247151
H -2.444536 0.625260 0.000393
H -3.239705 -0.123165 1.401806
H -4.495855 0.148695 -1.424677
H -5.307343 -0.546113 -0.004930
H -2.051191 -3.893730 1.041819
H -1.117568 -3.848316 -0.498468
H -0.285524 -3.662739 1.079798
H 3.772482 0.265219 1.709419
H -4.303881 2.369292 -0.235734
H -5.095552 1.678667 1.195051
H 5.234676 -0.242145 -1.134317
H 1.822484 0.210223 -2.208745
H 4.029579 1.851849 -0.126963
H 0.669105 3.217232 1.248559
H -6.761214 2.973318 -0.204023
H -6.403991 1.934096 -1.613349
H -7.199907 1.241255 -0.172845


