%chk=000103523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103523

0 1
 P    2.153800       1.643300     -4.8500001E-02
 O    3.486300       1.480600     -0.6802000    
 N   -2.713500     -0.3151000      8.5299999E-02
 C    1.002300      0.3265000     -0.5781000    
 C  -0.3947000      0.4897000      4.4100001E-02
 C   -1.402500     -0.5047000     -0.5347000    
 C   -3.657100      -1.339300     -0.3841000    
 C   -3.219600       1.037700     -0.1859000    
 C    1.319900       3.146100     -0.4663000    
 C    2.158300       1.535000       1.716800    
 C   -5.020300      -1.185400      0.2925000    
 C   -4.568300       1.269400      0.4969000    
 C   -5.587800      0.2140000      8.3700001E-02
 C    1.554000      -1.056700     -0.2964000    
 C    1.243100       3.367300      -1.962100    
 C    2.871100       2.702800       2.365300    
 C    2.420500      -1.634300      -1.206600    
 C    1.178200      -1.708200      0.8643000    
 C    2.928500      -2.907200     -0.9473000    
 C    1.686300      -2.981100       1.123600    
 C    2.561500      -3.580500      0.2177000    
 H   0.8942000      0.4288000      -1.665800    
 H  -0.7081000       1.495900     -0.2294000    
 H  -0.4022000      0.4677000       1.136600    
 H   -1.086600      -1.536000     -0.3562000    
 H   -1.463800     -0.3788000      -1.624300    
 H   -3.271900      -2.338400     -0.1464000    
 H   -3.779500      -1.287700      -1.474100    
 H   -3.313900       1.216200      -1.265000    
 H   -2.569400       1.813900      0.2254000    
 H   0.3303000       3.234700     -1.2600000E-02
 H    1.901600       3.977500     -5.1899999E-02
 H    1.144900       1.505700       2.123500    
 H    2.654400      0.6085000       2.023500    
 H   -5.718000      -1.930400     -0.1066000    
 H   -4.921400      -1.383100       1.367500    
 H   -4.946700       2.266200      0.2428000    
 H   -4.439000       1.244600       1.586500    
 H   -5.847400      0.3498000     -0.9734000    
 H   -6.510900      0.3358000      0.6608000    
 H   0.6196000       2.608000      -2.441700    
 H    2.237100       3.322600      -2.417400    
 H   0.8097000       4.347900      -2.181700    
 H    2.943400       2.553600       3.447000    
 H    3.883300       2.812700       1.964200    
 H    2.336000       3.640500       2.192000    
 H    2.712400      -1.117100      -2.115800    
 H   0.5316000      -1.278700       1.619500    
 H    3.610500      -3.373700      -1.652200    
 H    1.407500      -3.502800       2.034500    
 H    2.958600      -4.570800      0.4206000    


%chk=000103523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103523

0 1
P 2.173620 1.678961 -0.036236
O 3.577606 1.547644 -0.840256
N -2.917041 -0.194207 -0.057006
C 0.906239 0.304167 -0.551971
C -0.511014 0.563056 0.004928
C -1.565304 -0.368258 -0.639871
C -3.786503 -1.376171 -0.304201
C -3.582504 1.058874 -0.500429
C 1.350055 3.355208 -0.377114
C 2.372680 1.551896 1.843292
C -5.132504 -1.242656 0.436261
C -4.924095 1.270762 0.230494
C -5.857737 0.057481 0.022218
C 1.522593 -1.052606 -0.226793
C 1.099114 3.562710 -1.883927
C 3.594533 2.362665 2.322899
C 2.596783 -1.528315 -1.026810
C 1.103195 -1.839520 0.878865
C 3.219255 -2.762272 -0.741392
C 1.724732 -3.076575 1.163276
C 2.783943 -3.545230 0.352985
H 0.884648 0.418180 -1.655357
H -0.793504 1.614695 -0.189513
H -0.551080 0.425857 1.101768
H -1.258654 -1.416955 -0.475563
H -1.563394 -0.203801 -1.749991
H -3.249349 -2.278508 0.043047
H -3.986366 -1.508355 -1.401503
H -3.768421 1.037479 -1.608728
H -2.911409 1.913196 -0.298546
H 0.424462 3.444419 0.219631
H 2.066603 4.108046 0.000657
H 1.435479 1.891407 2.322327
H 2.502964 0.478076 2.068870
H -5.760493 -2.127934 0.218613
H -4.938509 -1.226846 1.526256
H -5.400402 2.199004 -0.140027
H -4.724063 1.403210 1.311359
H -6.144596 -0.006107 -1.048135
H -6.792774 0.182613 0.600207
H 0.328485 2.870767 -2.271718
H 2.030980 3.392424 -2.452050
H 0.755513 4.593513 -2.083809
H 3.791746 2.166284 3.392107
H 4.490215 2.078990 1.742845
H 3.442814 3.450837 2.200796
H 2.960504 -0.910360 -1.854584
H 0.282149 -1.498384 1.520035
H 4.049016 -3.108333 -1.367807
H 1.381176 -3.673114 2.016325
H 3.264915 -4.504917 0.573174


