%chk=000130605.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130605

0 1
 P  -0.4283000       4.679000      0.5552000    
 O   0.4712000      0.1145000     -0.9991000    
 O   0.5551000       3.600900     -0.1345000    
 O   -1.373400       2.617200      -1.791300    
 O    3.291200      0.2410000     -0.9137000    
 O  -0.2511000       4.359800       2.130600    
 O   0.3492000       6.084900      0.3709000    
 O   -1.844800       4.659200      5.9900001E-02
 O   -4.424400      -3.266400       2.191200    
 O    2.917600      -3.779000      -1.475300    
 N   -1.597200     -0.5176000     -2.0900000E-02
 N   -3.776100     -0.8899000      -1.036100    
 N   -1.889500      -1.815500       1.787600    
 N   -5.209900      -2.361500      0.2072000    
 N   -5.893700      -1.378700      -1.823200    
 C   0.2343000       2.231900     -1.0700000E-02
 C   -1.115100       1.871300     -0.6030000    
 C  -0.9447000      0.3942000     -0.9621000    
 C    1.181300       1.348400     -0.8039000    
 C    2.495400       1.078300     -9.3099996E-02
 C   -2.839000      -1.051000     -9.8300003E-02
 C   -1.057400      -1.013200       1.145500    
 C   -3.008400      -1.837600       1.003400    
 C   -4.251200      -2.554100       1.209700    
 C    4.164200     -0.6061000     -0.2777000    
 C   -4.968100      -1.581900     -0.8309000    
 C    4.063400      -1.982000     -0.4478000    
 C    5.150400     -6.2300000E-02  0.5374000    
 C    4.961300      -2.825800      0.2062000    
 C    6.048200     -0.9061000       1.191200    
 C    5.953700      -2.287800       1.025600    
 C    3.035800      -2.564200      -1.299700    
 H   0.2568000       1.943600       1.047800    
 H   -1.942100       2.056800      8.9599997E-02
 H   -1.342000      0.1591000      -1.956000    
 H    1.385400       1.770100      -1.796700    
 H    3.029700       2.017200      8.9299999E-02
 H    2.297900      0.5874000      0.8691000    
 H   -2.227900       2.314300      -2.143400    
 H  -6.1299998E-02 -0.7550000       1.478600    
 H   -3.655700     -0.3026000      -1.854800    
 H  -0.8247000       4.824700       2.776300    
 H  -8.8600002E-02   6.911400      0.6664000    
 H    5.241300       1.012200      0.6683000    
 H   -6.803300      -1.826200      -1.791800    
 H   -5.696300     -0.7781000      -2.616000    
 H    4.908700      -3.905500      9.3300000E-02
 H    6.822300     -0.4872000       1.827600    
 H    6.653200      -2.944500       1.534400    
 H    2.344800      -1.871000      -1.805900    


%chk=000130605-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130605

0 1
P -0.235064 4.418196 -0.688515
O 0.162257 -0.606384 -0.021359
O 0.358539 2.831220 -0.944198
O -2.343475 1.884896 -0.757889
O 3.158825 -0.417114 -0.338543
O 0.829557 4.974314 0.510072
O 0.314405 5.254998 -2.058097
O -1.797756 4.493813 -0.360619
O -6.025411 -3.524406 1.311393
O 5.383068 -2.971060 -2.615691
N -2.113366 -1.207270 0.171798
N -4.291974 -0.162719 -0.462813
N -2.921635 -3.111362 1.147995
N -6.228547 -1.491981 0.142058
N -6.490425 0.557844 -0.960160
C 0.095234 1.792147 0.086830
C -1.378504 1.223692 0.103832
C -1.197803 -0.236425 -0.412702
C 0.984939 0.585500 -0.319443
C 2.302057 0.487836 0.433120
C -3.501730 -1.155663 0.092906
C -1.813214 -2.438655 0.824711
C -4.000171 -2.321090 0.694196
C -5.460632 -2.537522 0.769084
C 4.438148 -0.707520 0.161429
C -5.679546 -0.418027 -0.403776
C 5.227135 -1.605412 -0.621376
C 4.953766 -0.159058 1.360607
C 6.534552 -1.932314 -0.176673
C 6.257373 -0.506360 1.778658
C 7.054315 -1.392048 1.014562
C 4.704927 -2.200822 -1.878763
H 0.364187 2.203566 1.077118
H -1.729767 1.202457 1.154581
H -1.299262 -0.222785 -1.521086
H 1.181491 0.654375 -1.409025
H 2.770805 1.491515 0.493487
H 2.131587 0.089889 1.453244
H -2.402213 2.873551 -0.546964
H -0.788291 -2.742989 1.009912
H -3.867718 0.734636 -0.756285
H 0.683337 5.891597 0.854404
H -0.253768 5.197093 -2.868526
H 4.362512 0.529012 1.971325
H -7.491382 0.382945 -0.917191
H -6.130858 1.328028 -1.517288
H 7.115976 -2.622870 -0.797835
H 6.649746 -0.080466 2.708779
H 8.062635 -1.653747 1.349568
H 3.659340 -1.930452 -2.144457


