%chk=000016776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016776

0 1
 P   -1.117800     -0.1518000      0.3378000    
 O   -1.582600      0.3022000       1.702900    
 O    2.622900      0.8075000      8.5000001E-02
 N   -1.602300      -1.693600     -5.9400000E-02
 N   -1.712100      0.7924000     -0.8981000    
 N   0.4837000     -0.1301000      0.1195000    
 C   -1.021000      -2.773400      0.7243000    
 C  -0.6067000      -2.540800     -0.6992000    
 C   -3.157600      0.9516000     -0.9482000    
 C   -2.269100       2.081600     -0.5171000    
 C    1.282200      0.8678000      0.3085000    
 C   0.8682000       2.231100      0.7662000    
 C    3.159700     -0.4458000     -0.3597000    
 C    4.652600     -0.2987000     -0.5625000    
 H   -1.677000      -3.607300      0.9328000    
 H  -0.3333000      -2.504800       1.514200    
 H   0.3988000      -2.200700     -0.8906000    
 H  -0.9924000      -3.219300      -1.450500    
 H   -3.590600      0.9944000      -1.938000    
 H   -3.748200      0.4482000     -0.1952000    
 H   -2.276800       2.369200      0.5241000    
 H   -2.101200       2.888300      -1.218300    
 H   0.1430000       2.167700       1.578500    
 H   0.4473000       2.785700     -7.5099997E-02
 H    1.735600       2.782600       1.142600    
 H    2.962700      -1.215300      0.3949000    
 H    2.687000     -0.7308000      -1.306300    
 H    5.095700      -1.238700     -0.9029000    
 H    4.866200      0.4810000      -1.301000    
 H    5.139900      4.8000002E-03  0.3699000    


%chk=000016776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016776

0 1
P -1.210879 0.022150 0.364097
O -1.786191 0.814681 1.640689
O 2.735734 0.748005 0.365403
N -1.663664 -1.690585 0.335796
N -1.851530 0.519040 -1.233393
N 0.535291 0.061747 0.082480
C -0.804113 -2.721223 1.028019
C -0.878633 -2.682758 -0.490709
C -3.332372 0.864136 -1.268670
C -2.297652 1.968450 -1.354253
C 1.386794 0.860974 0.669586
C 1.154979 1.972100 1.669908
C 3.124896 -0.275414 -0.651412
C 4.629530 -0.131982 -0.856425
H -1.368144 -3.470641 1.590616
H 0.134967 -2.391485 1.490701
H -0.000650 -2.308443 -1.029266
H -1.503657 -3.402998 -1.027306
H -3.841818 0.514568 -2.171076
H -3.900059 0.783055 -0.333507
H -2.191647 2.612789 -0.471982
H -2.058599 2.425489 -2.318645
H 0.153073 1.881215 2.119216
H 1.235652 2.949704 1.159564
H 1.935954 1.942698 2.447550
H 2.840174 -1.271799 -0.266313
H 2.543458 -0.088886 -1.572019
H 4.977042 -0.872185 -1.600069
H 4.882722 0.876349 -1.226096
H 5.176141 -0.303755 0.086617


