%chk=000163544.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163544

0 1
 P  -8.5000001E-02   3.669200      0.2327000    
 O    2.552700      0.3565000       1.044900    
 O    5.343700      0.5741000     -0.1940000    
 O    1.197800       2.778900      0.6579000    
 O    2.655200      -3.706800      0.5082000    
 O   -1.919300      -3.693100      8.3499998E-02
 O  -0.9103000       2.701300     -0.7659000    
 O   0.5553000       4.771300     -0.7625000    
 O  -0.8742000       4.232100       1.378400    
 O   -1.951200     -0.8637000      -2.444000    
 O   -4.605200      0.7229000       1.888900    
 N    1.583100      -1.642800      0.3115000    
 N   0.3723000      -3.679700      0.2957000    
 C    4.045200      0.7634000     -0.7518000    
 C    3.133000       1.424800      0.2719000    
 C    2.803400     -0.8941000      0.3880000    
 C    3.388100     -0.5784000     -0.9791000    
 C    1.996000       2.211000     -0.3679000    
 C   0.3716000     -0.9771000      0.1687000    
 C    1.618800      -3.051300      0.3814000    
 C  -0.8227000      -1.579000      8.7099999E-02
 C  -0.8642000      -3.067400      0.1531000    
 C   -2.043600     -0.8293000     -6.0500000E-02
 C   -2.543300     -0.5092000      -1.428900    
 C   -2.734000     -0.4163000       1.010900    
 C   -3.989700      0.3550000      0.8945000    
 C   -3.800000      0.2627000      -1.540200    
 C   -4.473500      0.6652000     -0.4625000    
 H    4.162300       1.349800      -1.667900    
 H    3.685400       2.062000      0.9716000    
 H    3.538300      -1.435000      0.9959000    
 H    2.597300     -0.4793000      -1.732600    
 H    4.074600      -1.362900      -1.313100    
 H    1.377100       1.587600      -1.017100    
 H    2.414800       3.019000     -0.9771000    
 H    5.876900      9.8200001E-02 -0.8535000    
 H   0.4083000      0.1011000      0.1286000    
 H   0.3737000      -4.694800      0.3433000    
 H   -2.397100     -0.6329000       2.020700    
 H   -4.159300      0.4936000      -2.537000    
 H   -1.782900       2.997500      -1.102000    
 H  -1.3000000E-02   5.499300      -1.092900    
 H   -5.393400       1.231000     -0.5563000    


%chk=000163544-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163544

0 1
P 0.485782 3.367129 1.131381
O 2.552036 0.808321 0.646750
O 5.267478 0.452713 -0.918868
O 1.899285 3.697125 0.151990
O 2.526288 -3.008356 1.659694
O -2.113710 -3.283828 1.370274
O 0.950261 2.153050 2.203989
O -0.527228 2.487331 0.005750
O -0.160532 4.666778 1.740870
O -1.105303 0.160501 -2.227977
O -5.894632 -0.568578 0.268450
N 1.381236 -1.284254 0.518447
N 0.191586 -3.071732 1.484737
C 3.897277 0.735775 -1.364139
C 3.309409 1.692526 -0.300259
C 2.651541 -0.609014 0.209619
C 2.989875 -0.512291 -1.291284
C 2.369098 2.755948 -0.882448
C 0.179952 -0.755713 0.069772
C 1.445854 -2.503005 1.260710
C -1.049615 -1.364367 0.263973
C -1.091311 -2.612846 1.056788
C -2.279667 -0.775003 -0.290709
C -2.187965 0.036892 -1.564059
C -3.526394 -0.977547 0.271294
C -4.758697 -0.379589 -0.280613
C -3.425627 0.675729 -2.082625
C -4.640599 0.478058 -1.493639
H 3.895535 1.187389 -2.376273
H 4.127566 2.161271 0.271487
H 3.436611 -1.120449 0.789346
H 2.070448 -0.359893 -1.886128
H 3.494152 -1.423299 -1.652863
H 1.506741 2.298176 -1.405294
H 2.934590 3.391747 -1.586047
H 5.707964 -0.165042 -1.555706
H 0.244166 0.214140 -0.422228
H 0.190667 -3.940071 2.030799
H -3.648207 -1.591951 1.167058
H -3.298750 1.281135 -2.987184
H 1.630866 1.502259 1.804922
H -1.297976 3.016759 -0.322643
H -5.567052 0.920476 -1.876511


