%chk=000000968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000968

0 1
 P   -5.433800      0.3473000      0.3074000    
 O  -0.4280000      0.3581000      0.7407000    
 O   0.5407000      -2.443800      -1.228400    
 O   -2.045100     -0.9914000      -2.155000    
 O   -3.929300      0.2725000     -0.2844000    
 O   0.7532000       2.209900     -0.4629000    
 O    3.093500      -1.936800       2.071600    
 O   -5.442700       1.720200       1.161900    
 O   -5.429900     -0.8001000       1.447100    
 O    5.348600       2.217000     -0.2571000    
 O    3.204700      -2.753600     -6.1600000E-02
 O   -6.524800      0.2209000     -0.7154000    
 N    1.821600      0.2097000      0.1219000    
 N    3.039600       2.203700     -0.3589000    
 C   0.1171000      -1.103400      -1.057500    
 C   -1.385500      -1.028500     -0.9045000    
 C   0.5985000     -0.5277000      0.2651000    
 C   -1.543500      0.2859000     -0.1614000    
 C   -2.841600      0.3839000      0.6192000    
 C    3.053500     -0.4165000      0.3452000    
 C    1.792000       1.580900     -0.2475000    
 C    4.235800      0.1999000      0.2335000    
 C    4.278700       1.625700     -0.1475000    
 C    3.126800      -1.833700      0.7281000    
 H   0.4576000     -0.5278000      -1.926100    
 H   -1.773600      -1.877300     -0.3284000    
 H   0.7023000      -1.299900       1.034500    
 H   -1.493300       1.124200     -0.8677000    
 H   -2.886100       1.343400       1.145500    
 H   -2.894800     -0.4067000       1.375700    
 H   0.2398000      -2.961300     -0.4622000    
 H   -1.812700      -1.807100      -2.630600    
 H    5.181800     -0.3007000      0.4100000    
 H    3.033500       3.185100     -0.6227000    
 H    3.139200      -2.869800       2.371400    
 H   -6.283100       2.020200       1.569300    
 H   -6.270700      -1.020100       1.901900    


%chk=000000968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000968

0 1
P -5.352429 0.733261 0.044465
O -0.401005 0.364047 0.993894
O -0.096909 -2.781328 -0.753272
O -2.614535 -1.097916 -1.565462
O -3.841284 1.546747 0.356162
O 0.636451 1.564638 -1.374284
O 4.226805 -2.026061 1.763427
O -5.946318 0.328927 1.614088
O -4.907825 -0.814872 -0.448853
O 5.057124 2.563031 -0.241975
O 2.501734 -2.781063 0.416794
O -6.316380 1.633238 -0.827040
N 1.791230 0.032310 -0.003766
N 2.844946 2.022680 -0.783899
C -0.262537 -1.338846 -0.737180
C -1.726669 -1.019897 -0.392304
C 0.506211 -0.625066 0.412617
C -1.662662 0.414803 0.172385
C -2.772751 0.872876 1.127173
C 3.041033 -0.392001 0.480971
C 1.685320 1.232986 -0.769715
C 4.161822 0.406892 0.425456
C 4.104956 1.738586 -0.186235
C 3.188231 -1.830071 0.873614
H 0.002747 -0.883746 -1.711109
H -2.069783 -1.740241 0.377188
H 0.760277 -1.347182 1.205291
H -1.536419 1.147110 -0.643754
H -2.361422 1.646262 1.796783
H -3.175020 0.041520 1.735976
H 0.862206 -3.008609 -0.606269
H -2.435380 -1.938929 -2.056835
H 5.124464 0.048894 0.789778
H 2.762628 2.908744 -1.294962
H 4.349454 -2.998267 1.940722
H -6.717692 0.886926 1.889077
H -4.070617 -0.908083 -1.048747


