%chk=000040487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040487

0 1
 P   0.4227000       1.152500     -0.6444000    
 O    1.832200       1.208200      0.1797000    
 O   0.3617000     -0.4384000      -1.013700    
 O   0.5265000       1.969700      -1.911900    
 N  -0.8155000       1.483100      0.4183000    
 C    3.044400      0.9586000     -0.5122000    
 C   0.4917000      -1.413100      8.2999999E-03
 C    4.117500      0.5769000      0.4975000    
 C  -8.2099997E-02  -2.730800     -0.4929000    
 C    5.458500      0.3087000     -0.1795000    
 C   1.1000000E-02  -3.825200      0.5665000    
 C   -2.147900       1.030000      0.2627000    
 C  -0.5414000       2.408300       1.513700    
 C    6.537700     -2.9999999E-02  0.8364000    
 C  -0.6023000      -5.127600      7.7399999E-02
 C   -2.979600      0.9131000       1.376500    
 C   -2.628900      0.7001000      -1.004400    
 C   -4.292000      0.4662000       1.223300    
 C   -3.941400      0.2533000      -1.157700    
 C   -4.772900      0.1364000     -4.3699998E-02
 H    3.327100       1.868600      -1.051300    
 H    2.904300      0.1545000      -1.242000    
 H  -3.4600001E-02  -1.086500      0.9104000    
 H    1.552200      -1.530200      0.2509000    
 H    3.791900     -0.3074000       1.059400    
 H    4.219500       1.380600       1.237500    
 H   0.4470000      -3.036500      -1.404100    
 H   -1.127500      -2.578700     -0.7899000    
 H    5.769900       1.190100     -0.7520000    
 H    5.357600     -0.5205000     -0.8894000    
 H  -0.5072000      -3.506200       1.478400    
 H    1.060300      -3.997200      0.8327000    
 H   0.3791000       2.971900       1.328800    
 H  -0.4107000       1.863600       2.454300    
 H   -1.338500       3.151800       1.627100    
 H    6.271800     -0.9257000       1.406900    
 H    7.489100     -0.2199000      0.3296000    
 H    6.686600      0.7947000       1.540600    
 H  -8.7800004E-02  -5.491400     -0.8178000    
 H  -0.5236000      -5.897700      0.8511000    
 H   -1.661800      -4.996000     -0.1643000    
 H   -2.636100       1.143800       2.380800    
 H   -2.009800      0.7913000      -1.891800    
 H   -4.938600      0.3712000       2.090700    
 H   -4.316800     -1.6000000E-03  -2.144300    
 H   -5.794600     -0.2120000     -0.1630000    


%chk=000040487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040487

0 1
P 0.466135 0.719011 -0.714888
O 1.936311 0.706886 0.206216
O 0.103939 -0.945163 -1.046732
O 0.539841 1.523214 -2.080948
N -0.647125 1.214429 0.553421
C 3.212665 0.760001 -0.570772
C -0.077114 -1.891202 0.091052
C 4.345006 0.849415 0.452172
C -0.309692 -3.270456 -0.528262
C 5.732501 0.897439 -0.233207
C -0.534461 -4.356836 0.551176
C -2.058596 1.137404 0.321138
C -0.159681 1.743195 1.845790
C 6.886735 0.992710 0.787551
C -0.758333 -5.754528 -0.065484
C -2.968496 1.276676 1.406811
C -2.581517 0.927885 -0.988303
C -4.360923 1.193375 1.185067
C -3.972379 0.837707 -1.190604
C -4.875955 0.967726 -0.109566
H 3.188956 1.639376 -1.241143
H 3.294471 -0.155998 -1.188060
H -0.948103 -1.570289 0.695938
H 0.831151 -1.877065 0.726129
H 4.291967 -0.022346 1.132370
H 4.201743 1.755453 1.072142
H 0.561257 -3.536044 -1.157292
H -1.188558 -3.216507 -1.198117
H 5.774479 1.764737 -0.922428
H 5.866932 -0.007512 -0.859674
H -1.410098 -4.082992 1.173988
H 0.339474 -4.389049 1.233471
H 0.930484 1.868719 1.800797
H -0.391671 1.048422 2.676664
H -0.631938 2.721380 2.052976
H 6.883572 0.124033 1.472374
H 7.868651 1.021051 0.281313
H 6.797566 1.906890 1.403842
H 0.117635 -6.069277 -0.663011
H -0.927452 -6.517457 0.716147
H -1.638461 -5.754317 -0.735244
H -2.601411 1.444202 2.422774
H -1.910811 0.862074 -1.851650
H -5.042796 1.304603 2.036124
H -4.350930 0.679463 -2.206666
H -5.956271 0.904161 -0.276196


