%chk=000000645.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000645

0 1
 P    5.292000       1.011300      0.6364000    
 O    1.242800     -0.4788000      0.4940000    
 O   0.8074000      -2.946200      -1.195900    
 O    3.993300      4.6799999E-02  0.6872000    
 O    4.817500       2.245700     -0.2944000    
 O    6.309700      0.1949000     -0.3188000    
 O   -5.466900     -0.7084000       1.295600    
 O    5.849800       1.395100       1.975800    
 N   -1.105500     -0.4345000      0.1275000    
 N   -2.555700       1.366600     -0.6285000    
 N   -2.668000      -1.632000       1.211200    
 N   -4.851600       1.138400      3.7500001E-02
 N   -4.102600       2.970700      -1.242100    
 C   0.2053000     -5.2000001E-02 -0.4043000    
 C    1.501500      -1.738300      -1.492600    
 C   0.5052000     -0.6374000      -1.781700    
 C    2.209900      -1.255400     -0.2367000    
 C    3.406300     -0.3612000     -0.5377000    
 C   -2.284600      0.2212000      2.4000001E-03
 C   -1.391800      -1.558700      0.8727000    
 C   -3.226700     -0.5121000      0.6627000    
 C   -4.604700     -6.5300003E-02  0.7092000    
 C   -3.882500       1.789600     -0.5795000    
 H   0.2205000       1.043300     -0.4324000    
 H    2.172400      -1.937100      -2.333500    
 H   0.9852000      0.1343000      -2.395500    
 H  -0.3899000     -0.9827000      -2.308800    
 H    2.515700      -2.079000      0.4181000    
 H    3.095500      0.5326000      -1.087800    
 H    4.144500     -0.9086000      -1.132100    
 H    1.474200      -3.619900     -0.9788000    
 H  -0.6362000      -2.284900       1.139500    
 H   -1.859000       1.912900      -1.124300    
 H   -5.026900       3.386300      -1.280600    
 H   -3.350200       3.461900      -1.712300    
 H    5.424300       3.006100     -0.4198000    
 H    7.222900      0.5326000     -0.4378000    


%chk=000000645-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000645

0 1
P 2.948879 2.027807 0.180391
O 1.269002 -0.010447 -1.231068
O 0.901511 -3.448208 -0.494396
O 3.288332 0.487562 0.885709
O 3.232410 1.841616 -1.495823
O 4.308025 2.892393 0.698921
O -4.914348 0.380686 1.117136
O 1.543738 2.666986 0.574016
N -1.038959 -0.729422 -1.281323
N -0.987057 1.364954 0.119867
N -3.187309 -1.365243 -0.782247
N -3.045107 1.791012 1.346639
N -1.166985 3.184914 1.592445
C 0.201125 -0.628310 -2.058850
C 1.657872 -2.411994 -1.195940
C 0.817972 -1.991336 -2.432870
C 1.805793 -1.103289 -0.351611
C 3.235185 -0.727373 0.032420
C -1.575389 0.236956 -0.417831
C -2.091747 -1.680587 -1.469868
C -2.886709 -0.162509 -0.109005
C -3.720249 0.646874 0.809271
C -1.792030 2.093269 1.029761
H 0.071935 0.059494 -2.913316
H 2.650569 -2.798323 -1.507995
H 1.463529 -1.849870 -3.314828
H 0.083333 -2.776773 -2.660439
H 1.157129 -1.165769 0.542433
H 3.872532 -0.587697 -0.861428
H 3.674424 -1.503858 0.680159
H 1.417617 -3.804760 0.272188
H -1.972663 -2.561285 -2.093554
H 0.000190 1.634238 -0.005510
H -1.709994 3.724858 2.260559
H -0.173868 3.366211 1.433864
H 2.509253 1.255914 -1.883333
H 4.145163 3.849109 0.899354


