%chk=000015993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015993

0 1
 P    2.590400      -1.342700      -1.590800    
 P    3.764900      0.8157000      2.9899999E-02
 P    1.896300       1.622200       2.165800    
 O  -0.8531000      -1.621000      0.9950000    
 O   -1.916700      -4.488800       1.413500    
 O    1.549200      -1.794300     -0.4374000    
 O    3.766600     -0.5713000     -0.7964000    
 O    3.299300      -2.721200      -2.054200    
 O    1.983800     -0.5506000      -2.712500    
 O    2.568900      0.6135000       1.097100    
 O    3.158600       1.888700      -1.016200    
 O    5.082800       1.201200      0.6345000    
 O    1.188500       2.731100       1.226900    
 O   0.6512000      0.7767000       2.754300    
 O    2.844000       2.167600       3.193200    
 N   -2.771400     -0.3032000      0.5358000    
 N   -4.101800       1.486600      0.4225000    
 N  -0.9930000      0.4103000     -0.9582000    
 N   -1.429200       2.635000      -1.862000    
 N   -3.386100       3.890700      -1.295900    
 C   -1.591600      -3.755500      0.2346000    
 C  -0.3670000      -2.885100      0.4960000    
 C   -2.289900      -1.621400      0.9320000    
 C   -2.686600      -2.744000     -1.6000001E-02
 C   0.4411000      -2.614800     -0.7657000    
 C   -2.158300      0.5759000     -0.3144000    
 C   -3.936000      0.2918000      0.9506000    
 C   -2.997800       1.676900     -0.3702000    
 C   -2.596400       2.733700      -1.181200    
 C  -0.7106000       1.496200      -1.710400    
 H   -1.464600      -4.473800     -0.5794000    
 H   0.2828000      -3.304500       1.272600    
 H   -2.661100      -1.804200       1.947700    
 H   -3.693900      -3.114700      0.1968000    
 H   -2.652900      -2.405600      -1.058400    
 H  -0.1573000      -2.100000      -1.523200    
 H   0.8086000      -3.554500      -1.189900    
 H   -1.892000      -3.887600       2.176500    
 H   -4.619600     -0.1934000       1.633800    
 H   0.2182000       1.457400      -2.267500    
 H   -3.072400       4.645500      -1.890800    
 H   -4.256900       3.967200     -0.7881000    
 H    2.832500      -3.305300      -2.689100    
 H    3.739900       2.245700      -1.720900    
 H   0.7780000       3.517000       1.646400    
 H   0.1225000       1.156900       3.487700    


%chk=000015993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015993

0 1
P 1.790629 -0.607530 -1.707331
P 1.822209 1.782289 0.368494
P 3.890415 -0.178355 1.975637
O -0.730910 -0.675132 1.408167
O -1.785429 -3.180390 2.978848
O 1.513575 -1.636349 -0.290767
O 1.285513 0.933067 -1.086577
O 3.479393 -0.566719 -1.744299
O 1.053216 -1.081339 -3.010014
O 3.235305 0.754178 0.626308
O 0.703773 1.378109 1.524403
O 2.148794 3.303688 0.166520
O 3.347502 0.614673 3.386879
O 2.850072 -1.498793 1.926014
O 5.450592 -0.358015 1.819516
N -2.534050 0.468143 0.236469
N -3.093856 2.507022 -0.669176
N -2.079090 -0.783552 -1.881038
N -2.420935 0.614858 -3.870330
N -3.088635 2.875224 -3.750375
C -1.648383 -2.875158 1.553133
C -0.334042 -2.111784 1.249058
C -2.227415 -0.500367 1.266362
C -2.753709 -1.932236 1.020152
C 0.225116 -2.379522 -0.152737
C -2.446295 0.316308 -1.163550
C -2.914518 1.817370 0.460040
C -2.800596 1.582204 -1.693495
C -2.776910 1.709743 -3.113986
C -2.089726 -0.540900 -3.232974
H -1.679869 -3.862432 1.067817
H 0.425103 -2.304693 2.026927
H -2.566340 -0.072444 2.226045
H -3.703560 -2.112548 1.545785
H -2.898741 -2.091487 -0.061191
H -0.481718 -2.053444 -0.942762
H 0.462404 -3.451921 -0.268591
H -1.640590 -2.361086 3.519218
H -3.035778 2.215206 1.466050
H -1.783397 -1.371590 -3.872513
H -3.023291 2.913402 -4.766091
H -3.323623 3.705614 -3.209952
H 3.872358 0.005831 -1.013058
H 0.145553 0.482378 1.471356
H 4.055936 1.120124 3.863593
H 2.415848 -1.665643 1.002418


