%chk=000096563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096563

0 1
 P   -3.088300     -0.1750000      0.2062000    
 P    3.088500      0.1752000      0.2064000    
 O   -3.742100     -0.7916000       1.422000    
 O    3.742700      0.7915000       1.422000    
 N   -1.432000     -0.2884000      0.2066000    
 N   -3.565300     -0.8648000      -1.229500    
 N   -3.408000       1.446800      2.7300000E-02
 N    1.432300      0.2900000      0.2066000    
 N    3.566000      0.8640000      -1.229500    
 N    3.406600      -1.446900      2.8100001E-02
 C  -0.7400000      0.1901000     -0.9939000    
 C  -0.7401000      0.1902000       1.407200    
 C   -4.950100      -1.312400      -1.309400    
 C   -3.823600      -2.298700      -1.205700    
 C   -3.733100       2.185000       1.241100    
 C   -4.790800       1.860900      0.2270000    
 C   0.7402000     -0.1884000     -0.9938000    
 C   0.7402000     -0.1881000       1.407200    
 C    4.951100       1.310200      -1.309700    
 C    3.825700       2.297800      -1.206100    
 C    3.731100      -2.185100       1.242100    
 C    4.789000      -1.862300      0.2277000    
 H  -0.8411000       1.279400      -1.082200    
 H   -1.185100     -0.2438000      -1.895300    
 H   -1.205500     -0.2491000       2.296900    
 H  -0.8446000       1.278800       1.496400    
 H   -5.426900      -1.185300      -2.271600    
 H   -5.587000      -1.172800     -0.4477000    
 H   -3.678100      -2.824500     -0.2726000    
 H   -3.538100      -2.839000      -2.097900    
 H   -3.363100       3.200600       1.281500    
 H   -3.734300       1.652400       2.181200    
 H   -5.521700       1.106300      0.4799000    
 H   -5.138000       2.656700     -0.4175000    
 H   0.8412000      -1.277700      -1.082200    
 H    1.185400      0.2455000      -1.895100    
 H    1.205500      0.2514000       2.296800    
 H   0.8446000      -1.276700       1.496800    
 H    5.427800       1.182400      -2.271900    
 H    5.588000       1.170300     -0.4481000    
 H    3.680800       2.823900     -0.2733000    
 H    3.540500       2.838100      -2.098500    
 H    3.360200      -3.200200       1.283000    
 H    3.733000      -1.652100       2.182100    
 H    5.520700      -1.108400      0.4803000    
 H    5.135300      -2.658700     -0.4165000    


%chk=000096563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096563

0 1
P -3.052594 0.239138 0.329112
P 3.052603 -0.238947 0.329281
O -3.652448 0.076210 1.816757
O 3.652414 -0.075609 1.816899
N -1.344031 0.418515 0.309534
N -3.351127 -1.100496 -0.823628
N -3.681022 1.606723 -0.648815
N 1.343981 -0.417808 0.309671
N 3.351528 1.100126 -0.823981
N 3.680744 -1.607118 -0.648037
C -0.566058 0.525669 -0.943100
C -0.566529 0.525076 1.560822
C -4.699483 -1.791877 -0.787014
C -3.470949 -2.491996 -0.234927
C -4.055101 2.868496 0.105513
C -5.140907 1.988078 -0.484171
C 0.566057 -0.525220 -0.942975
C 0.566437 -0.524117 1.560957
C 4.700137 1.791025 -0.787785
C 3.471916 2.491809 -0.235836
C 4.053957 -2.868831 0.106832
C 5.140395 -1.989097 -0.482705
H -0.121465 1.539783 -1.021871
H -1.237114 0.363950 -1.803367
H -1.247943 0.364251 2.415517
H -0.121079 1.539505 1.641597
H -5.092026 -2.060297 -1.772225
H -5.439907 -1.448189 -0.053517
H -3.406896 -2.594285 0.856015
H -2.972964 -3.269651 -0.821304
H -3.761940 3.792587 -0.401134
H -3.954382 2.864620 1.198452
H -5.748433 1.415419 0.228183
H -5.636284 2.273204 -1.416946
H 0.121455 -1.539346 -1.021574
H 1.237153 -0.363667 -1.803243
H 1.247819 -0.363096 2.415641
H 0.120979 -1.538530 1.641949
H 5.092668 2.058916 -1.773144
H 5.440519 1.447355 -0.054239
H 3.408006 2.594539 0.855073
H 2.974150 3.269416 -0.822463
H 3.760557 -3.792940 -0.399643
H 3.952815 -2.864575 1.199731
H 5.747893 -1.416478 0.229707
H 5.636001 -2.274742 -1.415199


