%chk=000004776.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004776

0 1
 P   -1.461300       1.139400      0.2367000    
 O   -1.820600     -0.4083000      0.5106000    
 O   -2.413600       1.965000       1.250200    
 O   -1.537900       1.576700      -1.198200    
 O    2.436200     -0.1872000       1.948200    
 O    5.798800      -3.326800     -2.0700000E-02
 O    4.384800      -2.878100      -1.747900    
 N    1.013700      0.4047000      0.2087000    
 C   0.1766000       1.340100      0.9453000    
 C   0.7762000       2.750900      0.9862000    
 C   0.9316000       3.427500     -0.3779000    
 C    1.488000       4.845100     -0.2328000    
 C    2.074100     -0.2793000      0.7774000    
 C    1.687900       5.503900      -1.588500    
 C    2.788500      -1.180800     -0.2107000    
 C   -2.980700      -1.033600      0.1466000    
 C    3.952000      -1.924000      0.4362000    
 C   -3.976600     -0.3220000     -0.5224000    
 C   -3.168500      -2.383300      0.4448000    
 C    4.712100      -2.739500     -0.5778000    
 C   -5.160500     -0.9599000     -0.8930000    
 C   -4.352400      -3.021200      7.4100003E-02
 C   -5.348200      -2.309400     -0.5949000    
 H   0.1220000      0.9809000       1.980500    
 H    1.756300       2.712000       1.477900    
 H   0.1297000       3.376600       1.613700    
 H  -3.7500001E-02   3.492600     -0.8800000    
 H    1.595100       2.833100      -1.016500    
 H   0.8256000      0.2798000     -0.7820000    
 H    2.447900       4.816200      0.2958000    
 H   0.8038000       5.455000      0.3685000    
 H    2.394500       4.935000      -2.201200    
 H   0.7410000       5.576100      -2.133100    
 H    2.085600       6.515900      -1.463000    
 H    3.146800     -0.5603000      -1.041400    
 H    2.062000      -1.893700     -0.6191000    
 H   -3.368100       2.060900       1.047300    
 H    4.648600      -1.208100      0.8878000    
 H    3.582700      -2.597200       1.217800    
 H   -3.879400      0.7283000     -0.7703000    
 H   -2.396200      -2.942500      0.9656000    
 H   -5.937100     -0.4059000      -1.412400    
 H   -4.498800      -4.072000      0.3062000    
 H   -6.270100      -2.806000     -0.8831000    
 H    6.294900      -3.870100     -0.6696000    


%chk=000004776-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004776

0 1
P -1.332681 1.264110 0.102450
O -1.657113 -0.377643 0.607094
O -2.294777 2.268607 1.141170
O -1.545888 1.564009 -1.453807
O 1.964287 -0.712575 1.776570
O 4.634124 -4.444906 -0.516507
O 5.474998 -2.379709 -1.158539
N 1.331415 0.687076 0.028292
C 0.405492 1.465217 0.842634
C 0.776507 2.957610 0.997065
C 0.951732 3.739122 -0.325369
C 1.267912 5.231850 -0.076819
C 2.055034 -0.380394 0.558771
C 1.491954 6.019311 -1.385073
C 2.996526 -1.070217 -0.432031
C -2.831061 -1.108465 0.263485
C 3.287031 -2.519375 -0.006288
C -3.480034 -0.970664 -0.986344
C -3.285072 -2.026740 1.235086
C 4.561339 -3.050037 -0.625897
C -4.617431 -1.768931 -1.247906
C -4.414715 -2.824262 0.949102
C -5.087873 -2.695474 -0.289174
H 0.358302 0.968134 1.828007
H 1.722011 2.987385 1.573818
H 0.002029 3.443696 1.620165
H 0.036798 3.652832 -0.945208
H 1.778408 3.296289 -0.919405
H 1.434439 0.922647 -0.961417
H 2.168557 5.313778 0.565617
H 0.434590 5.688502 0.494845
H 2.342873 5.604259 -1.957439
H 0.597693 5.973539 -2.034378
H 1.709231 7.083851 -1.182452
H 3.952427 -0.510432 -0.458150
H 2.584449 -1.034633 -1.457564
H -3.155191 2.554153 0.739556
H 3.391496 -2.551916 1.096856
H 2.452723 -3.200147 -0.247589
H -3.097476 -0.265599 -1.731473
H -2.749895 -2.103980 2.186057
H -5.128729 -1.669346 -2.211879
H -4.769626 -3.541822 1.696976
H -5.965928 -3.313460 -0.504682
H 5.498614 -4.758747 -0.898628


