%chk=000001181.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001181

0 1
 P   -2.817500       2.031700      -1.083600    
 P   -4.227600     -0.5498000     -0.9707000    
 P   -3.020600      -2.618200      0.7523000    
 O   0.8251000      0.7043000      0.1085000    
 O    1.190900       2.679700       3.072300    
 O    2.565500     -0.1058000       3.106600    
 O   -1.352100       2.409200     -0.5105000    
 O    3.543100      -2.301400      0.7713000    
 O   -2.974300      0.4514000     -0.7872000    
 O   -3.845900       2.708900     -3.4299999E-02
 O   -3.051900       2.414900      -2.515900    
 O    6.086500     -0.6083000      -2.679600    
 O   -3.602900      -1.998400     -0.6219000    
 O   -4.444700     -0.6089000      -2.571400    
 O   -5.452600     -0.1918000     -0.1819000    
 O   -2.433400      -4.050600      0.2875000    
 O   -1.693300      -1.739900       1.032400    
 O   -4.006200      -2.669600       1.882300    
 N    2.963600     -0.2154000     -0.1072000    
 N    4.809000      -1.456300     -0.9468000    
 C   0.9529000       1.505900       2.319700    
 C    2.229500      0.7493000       2.029100    
 C   0.4798000       1.840600      0.9165000    
 C    1.852600     -3.8800001E-02  0.7844000    
 C   -1.014000       2.096400      0.8300000    
 C    3.750500      -1.388600     -3.0999999E-02
 C    3.264300      0.7665000      -1.044000    
 C    4.276500      0.6877000      -1.910300    
 C    5.147300     -0.5048000      -1.896500    
 H   0.2379000      0.8780000       2.865100    
 H    3.069500       1.434800       1.867800    
 H    1.016800       2.707500      0.5102000    
 H    1.434300      -1.019200       1.042000    
 H   -1.306100       2.939600       1.463300    
 H   -1.568700       1.209800       1.153500    
 H   0.3435000       3.146500       3.166200    
 H    1.822300     -0.7133000       3.260800    
 H    2.644400       1.655400      -1.051200    
 H    5.387800      -2.290700     -0.9100000    
 H    4.485700       1.477100      -2.621800    
 H   -4.036100       3.668300     -0.1088000    
 H   -4.902800      0.1360000      -3.015900    
 H   -2.099400      -4.671000      0.9700000    
 H   -1.199600      -1.875800       1.869100    


%chk=000001181-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001181

0 1
P -2.525349 2.452205 -0.688332
P -2.656913 -0.667175 -0.839642
P -1.117670 -3.079685 0.402695
O 0.427200 1.603570 0.277605
O 1.999288 3.271296 2.986711
O 2.205389 0.016982 3.070432
O -1.938321 3.372061 0.600745
O 2.088980 -2.093832 1.195551
O -2.828160 0.882968 -0.004880
O -4.023514 3.238064 -0.828097
O -1.747414 2.306801 -2.084775
O 3.651859 -2.459636 -3.200558
O -1.298831 -1.302789 -0.031931
O -2.229632 -0.250826 -2.407810
O -3.910174 -1.633301 -0.687023
O -0.333479 -2.911922 1.878263
O -2.680956 -3.510200 0.848076
O -0.354747 -3.836462 -0.756605
N 1.776453 -0.281027 -0.255126
N 2.835808 -2.237033 -1.017813
C 1.183397 2.152979 2.540059
C 1.982002 0.949166 1.985617
C 0.325822 2.642832 1.348328
C 1.059711 0.416518 0.854673
C -1.143236 2.804038 1.724923
C 2.226291 -1.574811 0.020815
C 1.926944 0.288760 -1.524725
C 2.547529 -0.382963 -2.547145
C 3.062629 -1.737331 -2.357537
H 0.552612 1.759828 3.366269
H 2.932929 1.311163 1.538514
H 0.739406 3.578348 0.937005
H 0.298914 -0.278670 1.253516
H -1.260369 3.564183 2.514388
H -1.592108 1.845473 2.041333
H 2.496886 3.002726 3.800102
H 2.388684 -0.886525 2.684661
H 1.502484 1.288453 -1.627406
H 3.126713 -3.204593 -0.836511
H 2.655410 0.070492 -3.532751
H -4.407644 3.239047 -1.743410
H -1.877523 0.714620 -2.530582
H 0.670157 -2.736645 1.771246
H -3.407861 -3.024245 0.321532


