%chk=000123847.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123847

0 1
 P   0.6275000       3.389700      0.6115000    
 P   -2.191000       3.501300     -0.2455000    
 O    3.330200     -0.1284000       1.275200    
 O   -3.116600     -0.5255000      -1.237800    
 O    5.739700     -0.7391000     -0.7509000    
 O    4.616700       1.569500      -1.618300    
 O   -3.816500      -3.005900       1.261100    
 O   -5.665600      -1.720500     -0.2773000    
 O    1.626800       2.118700      0.5326000    
 O   -3.131300       2.284100     -0.7544000    
 O  -0.7734000       2.793600      7.0900001E-02
 O    1.128200       4.335400     -0.6013000    
 O   -1.902700       4.325200      -1.606800    
 O   0.5552000       4.062000       1.951400    
 O   -2.763800       4.320400      0.8742000    
 N    2.627500      -2.177800      0.3211000    
 N   -1.295400      -1.896900     -0.3643000    
 N   0.7770000     -0.6510000     -4.2900000E-02
 N    1.561700      -4.141100      0.1754000    
 N   -1.269900      -4.366900     -0.2939000    
 C    3.747600      -1.267300      0.4891000    
 C    4.315000     -0.7319000     -0.8278000    
 C    3.806400      0.6985000     -0.8582000    
 C   -2.756300      -1.753400     -0.5591000    
 C   -3.491000      -1.718600      0.7771000    
 C    3.809300       1.058900      0.6176000    
 C   -4.731500     -0.9150000      0.4407000    
 C   -4.183700      0.1333000     -0.5153000    
 C    2.962500       2.268200      0.9984000    
 C   -3.615900       1.353200      0.2096000    
 C    1.315500      -1.885100      8.0799997E-02
 C   0.6822000      -3.110100      3.0000001E-04
 C  -0.7448000      -3.191800     -0.2388000    
 C    2.724400      -3.549100      0.3627000    
 C  -0.5041000     -0.7364000     -0.2571000    
 H    4.506700      -1.798000       1.076300    
 H    4.029200      -1.301100      -1.717800    
 H    2.790700      0.7184000      -1.266900    
 H   -3.123800      -2.565400      -1.196800    
 H   -2.894200      -1.202300       1.538600    
 H    4.833300       1.243200      0.9689000    
 H   -5.244000     -0.5026000       1.314300    
 H   -4.921800      0.4491000      -1.261100    
 H    2.925500       2.371600       2.087800    
 H    3.392100       3.178900      0.5690000    
 H   -4.396400       1.845400      0.7987000    
 H   -2.793100       1.081600      0.8774000    
 H    3.665100      -4.055500      0.5319000    
 H   -1.068700      0.1955000     -0.3768000    
 H    6.021900      -1.668100     -0.6948000    
 H    4.665600       1.209000      -2.520100    
 H   -4.351800      -2.889200       2.064500    
 H   -5.921700      -2.454600      0.3068000    
 H   -2.278200      -4.302700     -0.4550000    
 H    1.926700       4.890500     -0.4733000    
 H   -1.534800       3.847900      -2.380700    


%chk=000123847-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123847

0 1
P 1.005092 3.769768 0.592882
P -1.893095 3.518683 -0.717924
O 3.519447 -0.316741 1.340184
O -3.219767 -0.732422 -1.335771
O 5.064293 0.184626 -1.458969
O 3.399791 2.240697 -1.317788
O -4.372933 -3.231320 0.800373
O -5.829178 -1.113014 0.213851
O 1.263171 2.193047 1.281519
O -2.011453 1.792213 -0.723244
O -0.695493 3.812701 0.567036
O 1.292509 3.582197 -1.099470
O -1.047773 3.804941 -2.136774
O 1.781682 4.937138 1.320069
O -3.237267 4.283522 -0.421935
N 2.646807 -2.197775 0.129965
N -1.350406 -2.058219 -0.548462
N 0.756331 -0.937214 -0.870483
N 1.531653 -4.080344 0.825152
N -1.518391 -4.366638 0.343870
C 3.696252 -1.181442 0.141346
C 3.698490 -0.226060 -1.090893
C 3.038564 1.053510 -0.548094
C -2.849905 -1.972710 -0.692756
C -3.563065 -2.007753 0.698510
C 3.510682 1.112827 0.923034
C -4.505632 -0.752032 0.685993
C -3.838516 0.190143 -0.335983
C 2.598859 1.908428 1.881086
C -2.816926 1.128301 0.327632
C 1.296859 -2.025817 -0.213482
C 0.629033 -3.188085 0.218171
C -0.813541 -3.310583 0.025473
C 2.716686 -3.455970 0.768826
C -0.566052 -1.006867 -1.007639
H 4.666280 -1.704520 0.229874
H 3.151629 -0.649475 -1.950098
H 1.947778 0.930997 -0.603700
H -3.194154 -2.808791 -1.328683
H -2.822721 -1.952031 1.516110
H 4.547817 1.502820 0.973239
H -4.575790 -0.297701 1.695982
H -4.586573 0.766430 -0.900719
H 2.386116 1.295030 2.770740
H 3.069636 2.859937 2.187356
H -3.365791 1.876524 0.931948
H -2.101043 0.589970 0.975156
H 3.650068 -3.844040 1.172048
H -1.098608 -0.184385 -1.490014
H 5.466473 -0.451439 -2.098698
H 4.323416 2.135990 -1.669745
H -4.296802 -3.628837 1.702639
H -5.919143 -2.101628 0.323232
H -2.533891 -4.317364 0.137947
H 2.221307 3.173901 -1.353942
H -0.024609 3.748676 -1.995078


