%chk=000000812.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000812

0 1
 P    3.574800      -1.487400      -1.428500    
 P    4.456000       1.247500     -0.7886000    
 P    2.886500       2.674600       1.261800    
 O  -0.2397000      -1.141500     -0.1139000    
 O   -2.062900      -1.224000       2.948500    
 O  -0.2367000      -3.679900       2.420900    
 O    2.216900      -2.243400     -0.9783000    
 O    3.423700      6.8000001E-03 -0.8332000    
 O    4.726000      -2.141400     -0.4990000    
 O    3.865000      -1.536400      -2.900500    
 O   -6.322500      0.9381000      -2.164600    
 O    3.564600       2.454000     -0.1885000    
 O    4.641200       1.652900      -2.342400    
 O    5.735100      0.9883000     -4.8599999E-02
 O    2.026800       4.028600       1.061500    
 O    1.758700       1.519400       1.333300    
 O    3.854500       2.697800       2.407800    
 N   -2.516900     -0.5040000     -0.1833000    
 N   -3.933400     -0.7748000      -1.904600    
 N   -3.686800       1.332300      0.9058000    
 N   -5.699400       2.033800     -0.2166000    
 C   -1.587100      -1.797500       1.743500    
 C  -0.1929000      -2.361900       1.908400    
 C   -1.363000     -0.7242000      0.6860000    
 C   0.3237000      -2.323600      0.4796000    
 C    1.838000      -2.264700      0.3874000    
 C   -3.506400      0.4083000     -4.2800002E-02
 C   -2.820400      -1.201600      -1.331400    
 C   -4.363700      0.2372000      -1.093500    
 C   -5.542800       1.076300      -1.229800    
 C   -4.816900       2.110300      0.7437000    
 H   -2.300500      -2.565700       1.421100    
 H   0.4094000      -1.741300       2.583000    
 H   -1.106200      0.2452000       1.129100    
 H  -4.2100001E-02  -3.181200     -9.9500000E-02
 H    2.292000      -3.142100      0.8584000    
 H    2.213000      -1.366700      0.8887000    
 H   -2.098700      -1.931200       3.614700    
 H  -0.6564000      -3.640100       3.297100    
 H   -2.202400      -2.010000      -1.698200    
 H   -3.061100       1.468900       1.692800    
 H   -4.932700       2.859100       1.543300    
 H    5.098800      -3.013500     -0.7490000    
 H    5.231300       1.109800      -2.907300    
 H    1.585100       4.430200       1.839800    
 H    1.256400       1.394700       2.166600    


%chk=000000812-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000812

0 1
P 3.793660 -2.293483 -0.573440
P 3.504833 0.723839 -1.176429
P 1.640933 3.112664 -2.078849
O 0.464356 -1.137349 1.504853
O -2.759894 -2.009424 2.880470
O -1.274751 -4.405016 1.531205
O 2.526783 -3.324862 -0.019081
O 2.877858 -0.902091 -1.240852
O 4.418517 -1.652809 0.867313
O 4.713017 -3.021402 -1.620161
O -4.118451 3.409993 -1.198105
O 2.042896 1.627864 -1.058866
O 4.160006 1.120443 -2.652918
O 4.476673 0.811641 0.097609
O 0.054943 3.071722 -2.195122
O 2.044137 4.406368 -1.025921
O 2.667831 3.014608 -3.322369
N -1.399901 0.262889 0.963836
N -1.447212 1.877691 -0.559697
N -3.815739 0.358006 1.629120
N -5.116628 2.033680 0.455138
C -1.728634 -2.072583 1.845846
C -0.663302 -3.171579 1.993380
C -0.883857 -0.777991 1.896330
C 0.463905 -2.591916 1.095237
C 1.872401 -3.147721 1.286799
C -2.707690 0.750265 0.909375
C -0.648720 0.980397 0.055847
C -2.749567 1.770379 -0.051326
C -3.998120 2.493781 -0.350270
C -4.997901 1.064972 1.336102
H -2.193608 -2.207897 0.847068
H -0.316009 -3.243094 3.046578
H -0.869336 -0.353651 2.917623
H 0.178035 -2.680942 0.028670
H 1.840034 -4.165851 1.717426
H 2.466317 -2.491303 1.949306
H -3.175644 -2.903841 2.977100
H -0.654769 -5.170752 1.625766
H 0.422088 0.867545 -0.134610
H -3.770935 -0.436481 2.293895
H -5.874110 0.751409 1.915246
H 4.617626 -0.629026 0.784239
H 3.624482 1.917683 -3.149283
H -0.984757 2.518450 -1.323468
H 2.964106 4.760778 -1.139910


