%chk=000103517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103517

0 1
 P   -1.465500     -0.5412000     -0.7563000    
 O   -2.607600      0.1565000      0.1345000    
 O   -1.660500      -2.118000     -0.5129000    
 O   -1.402600     -0.1260000      -2.179900    
 N    3.646200      -1.495700     -0.1254000    
 C   7.5499997E-02 -0.1500000      0.1453000    
 C    1.270600     -0.9525000     -0.3963000    
 C    2.541300     -0.7153000      0.4213000    
 C   0.3823000       1.334200      0.1406000    
 C    1.243400       1.840900     -0.8158000    
 C  -0.2059000       2.146400       1.093000    
 C   -3.962900      6.0699999E-02 -0.2666000    
 C   -1.800500      -2.661400      0.7877000    
 C    4.873500      -1.251800      0.6336000    
 C    3.320300      -2.922600     -0.1203000    
 C    1.525900       3.206900     -0.8197000    
 C   7.6499999E-02   3.512300       1.089000    
 C   0.9424000       4.042500      0.1328000    
 C   -4.826900      0.7964000      0.7355000    
 C   -1.965800      -4.162300      0.6799000    
 H  -7.4699998E-02 -0.4464000       1.191000    
 H    1.431000     -0.7872000      -1.468100    
 H   0.9677000      -2.002700     -0.3198000    
 H    2.354600     -0.9846000       1.470100    
 H    2.838700      0.3358000      0.4195000    
 H    1.692700       1.246800      -1.602200    
 H  -0.8807000       1.743000       1.842100    
 H   -4.074700      0.5058000      -1.260200    
 H   -4.254700     -0.9926000     -0.3190000    
 H  -0.9128000      -2.442100       1.385400    
 H   -2.673700      -2.223400       1.279400    
 H    5.715700      -1.794600      0.1899000    
 H    5.139900     -0.1892000      0.6062000    
 H    4.779300      -1.557500       1.682000    
 H    2.588600      -3.178100     -0.8929000    
 H    4.208000      -3.516400     -0.3716000    
 H    2.958000      -3.268500      0.8547000    
 H    2.193000       3.622200      -1.569600    
 H  -0.3781000       4.163100       1.830200    
 H    1.160700       5.106400      0.1283000    
 H   -4.528600       1.847900      0.8031000    
 H   -4.707000      0.3668000       1.735600    
 H   -5.882200      0.7458000      0.4534000    
 H   -1.099900      -4.610300      0.1811000    
 H   -2.845000      -4.410800      7.6399997E-02
 H   -2.077000      -4.615500       1.668900    


%chk=000103517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103517

0 1
P -1.427357 -0.788965 -0.753158
O -2.697354 -0.092768 0.216777
O -1.573482 -2.515577 -0.500276
O -1.475937 -0.442607 -2.305166
N 3.790024 -1.494555 0.010861
C 0.115809 -0.261829 0.215166
C 1.337438 -1.050149 -0.333872
C 2.578968 -0.845590 0.560371
C 0.277657 1.251648 0.179684
C 0.471495 1.933640 -1.051116
C 0.267224 1.997795 1.384718
C -3.934119 0.394362 -0.462335
C -1.923635 -3.043603 0.846817
C 5.024174 -0.992063 0.649263
C 3.727357 -2.969912 0.024073
C 0.659720 3.332624 -1.067886
C 0.458928 3.397893 1.367537
C 0.657971 4.069809 0.139707
C -4.601860 1.369572 0.503587
C -2.248099 -4.523600 0.656340
H -0.089910 -0.583725 1.254444
H 1.581052 -0.717447 -1.359086
H 1.074617 -2.123067 -0.393426
H 2.347904 -1.208206 1.600469
H 2.786110 0.237882 0.637334
H 0.449879 1.371822 -1.991728
H 0.105403 1.481251 2.338760
H -3.652088 0.877783 -1.416179
H -4.583348 -0.474273 -0.684311
H -1.060336 -2.909040 1.531754
H -2.785857 -2.478804 1.248833
H 5.905648 -1.429824 0.147266
H 5.079174 0.105550 0.539537
H 5.094178 -1.235361 1.740847
H 2.882708 -3.327994 -0.588297
H 4.653925 -3.379511 -0.415705
H 3.616110 -3.395109 1.055777
H 0.802190 3.848997 -2.023840
H 0.451443 3.961405 2.307430
H 0.806092 5.155425 0.123449
H -3.932275 2.219772 0.717699
H -4.850189 0.870394 1.456095
H -5.536669 1.759275 0.058948
H -1.381142 -5.061515 0.236558
H -3.097823 -4.644253 -0.036439
H -2.513215 -4.983852 1.626620


