%chk=000005463.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005463

0 1
 P    3.751800       1.432300      0.5982000    
 O   0.1504000      -1.601100     -0.7510000    
 O    3.051900     -2.2900000E-02  0.6405000    
 O    1.484400      -4.041600     -0.2524000    
 O   -1.915200       1.639400      -2.260900    
 O    4.646500       1.391300     -0.7483000    
 O    4.851900       1.331200       1.779000    
 O    2.809800       2.595500      0.7074000    
 O   -5.199900      0.8303000      0.8544000    
 N   -1.468700      8.4600002E-02 -0.5772000    
 N   -3.544400       1.226800     -0.7002000    
 C    2.102900     -0.3372000     -0.3565000    
 C   0.9262000      0.6095000     -0.3493000    
 C    1.418000      -1.664500     -7.6800004E-02
 C  -0.1443000     -0.2229000      -1.032000    
 C    2.204200      -2.864400     -0.5729000    
 C   -1.950100     -0.5655000      0.5528000    
 C   -2.275300       1.025600      -1.254200    
 C   -3.165100     -0.3707000       1.080200    
 C   -4.072700      0.6060000      0.4216000    
 C   -3.662100      -1.081900       2.297600    
 H    2.584200     -0.3404000      -1.342200    
 H   0.6489000      0.8770000      0.6782000    
 H    1.110900       1.542800     -0.8897000    
 H    1.211400      -1.783000      0.9948000    
 H  -8.6400002E-02 -9.4599999E-02  -2.119500    
 H    3.196400      -2.918700     -0.1147000    
 H    2.317600      -2.838800      -1.661300    
 H   -1.277100      -1.261000       1.042300    
 H   -4.142200       1.899900      -1.171600    
 H    1.413200      -4.090100      0.7162000    
 H   -3.907100     -0.3635000       3.086700    
 H   -2.916600      -1.776000       2.699700    
 H   -4.561400      -1.660300       2.062000    
 H    5.125200       2.201500      -1.024800    
 H    5.360400       2.133500       2.023800    


%chk=000005463-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005463

0 1
P 4.055110 1.391528 0.699495
O 0.127463 -1.549902 -0.802187
O 2.996934 0.042126 0.754042
O 1.951741 -4.043403 -0.479621
O -2.216844 1.168567 -2.571198
O 4.960552 0.950541 -0.686169
O 5.112793 0.991503 1.984005
O 3.435403 2.852758 0.731347
O -5.506786 0.654858 0.712002
N -1.639777 0.067341 -0.564359
N -3.829208 0.871520 -0.896309
C 2.048837 -0.171608 -0.366205
C 0.800461 0.727230 -0.310820
C 1.482801 -1.600138 -0.191859
C -0.257746 -0.134396 -1.039740
C 2.334504 -2.684177 -0.862343
C -2.032403 -0.409902 0.689872
C -2.543531 0.731517 -1.433091
C -3.300314 -0.257616 1.197017
C -4.306926 0.437094 0.376768
C -3.727989 -0.782588 2.544500
H 2.590728 -0.068285 -1.325756
H 0.514248 0.883310 0.744703
H 0.936778 1.709831 -0.787550
H 1.384609 -1.806294 0.895910
H -0.282674 0.063168 -2.124489
H 3.402664 -2.483827 -0.628780
H 2.185837 -2.646327 -1.953997
H -1.257728 -0.958187 1.231705
H -4.507577 1.351564 -1.496668
H 2.165514 -4.186735 0.477081
H -4.101213 0.038040 3.183612
H -2.895972 -1.288090 3.063808
H -4.564050 -1.497101 2.437038
H 5.587807 1.636365 -1.027965
H 4.973554 1.527818 2.806101


