%chk=000006022.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006022

0 1
 P   -3.031000       1.030800      0.9657000    
 P   -3.875200      -1.105100     -0.8725000    
 O    1.237200       1.670900       1.089500    
 O    3.327400       2.371700      -1.749600    
 O    2.204900       4.275000     -0.1676000    
 O   -1.566200       1.694700       1.146800    
 O   -2.814500     -0.1382000     -0.1299000    
 O   -3.881200       2.144300      0.1567000    
 O   -3.673500      0.5673000       2.240900    
 O   -2.961000      -1.898100      -1.943700    
 O   -4.732400     -8.5600004E-02  -1.788000    
 O   -4.681500      -1.973500      4.7499999E-02
 N    2.646500     -2.9999999E-02  0.2230000    
 N    3.775500      -1.950700      0.1023000    
 N   0.3757000     -0.8891000      0.3117000    
 N   0.3453000      -3.328200      0.2346000    
 N    2.345600      -4.634100      9.1799997E-02
 C    2.131000       2.048400      -1.071000    
 C    1.325900       3.269600     -0.6722000    
 C    2.401400       1.409200      0.2825000    
 C   0.4758000       2.737600      0.4772000    
 C  -0.8591000       2.170300      1.4900000E-02
 C    1.708500      -1.024200      0.2390000    
 C    3.872300     -0.6381000      0.1394000    
 C    2.428500      -2.205800      0.1640000    
 C    1.696900      -3.389300      0.1637000    
 C  -0.2229000      -2.100000      0.3033000    
 H    1.532400       1.389500      -1.710500    
 H   0.7585000       3.705200      -1.499600    
 H    3.268500       1.853500      0.7872000    
 H   0.3102000       3.490600       1.256000    
 H  -0.7205000       1.343900     -0.6876000    
 H   -1.449800       2.950800     -0.4749000    
 H    3.826300       2.998100      -1.197900    
 H    1.654300       5.022700      0.1215000    
 H    4.795200     -7.5199999E-02  0.1078000    
 H   -1.302000      -2.101100      0.3831000    
 H    3.354100      -4.682200      3.8500000E-02
 H    1.792100      -5.480000      9.2900001E-02
 H   -4.259100       2.903100      0.6502000    
 H   -3.364700      -2.620800      -2.470000    
 H   -5.505000     -0.4288000      -2.285400    


%chk=000006022-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006022

0 1
P -2.462863 0.410913 1.725239
P -3.361264 -1.924712 -0.203874
O 1.714340 2.042046 1.116566
O 3.703174 3.406471 -0.996501
O 1.283793 4.314320 -1.400373
O -1.144902 1.512572 1.509517
O -2.080140 -0.924305 0.745702
O -3.739511 1.078239 0.694706
O -2.852904 0.268035 3.245049
O -2.417031 -3.037994 -0.927556
O -3.669887 -0.729703 -1.411126
O -4.563573 -2.315350 0.746886
N 2.708334 0.056794 0.195322
N 2.444729 -1.978882 1.244485
N 1.176886 -0.291683 -1.741316
N -0.124589 -2.303498 -1.444012
N 0.088088 -3.789072 0.376083
C 2.748740 2.312528 -1.056848
C 1.268763 2.865399 -1.138516
C 2.808419 1.542078 0.284987
C 0.647031 2.633109 0.267687
C -0.611832 1.759160 0.156015
C 1.828227 -0.685324 -0.595517
C 3.047703 -0.780048 1.279780
C 1.659832 -1.920972 0.084351
C 0.558697 -2.728096 -0.314529
C 0.221660 -1.156351 -2.120941
H 2.992583 1.671344 -1.919671
H 0.719316 2.322431 -1.926432
H 3.752970 1.771479 0.802984
H 0.394601 3.597445 0.738573
H -0.402822 0.799937 -0.340018
H -1.363297 2.315443 -0.440688
H 3.167519 4.252715 -1.000244
H 1.178661 4.491301 -2.368216
H 3.711585 -0.441106 2.072173
H -0.374081 -0.928341 -3.007270
H 0.543207 -4.045722 1.252291
H -0.856572 -4.136551 0.161116
H -4.466712 1.522102 1.199471
H -1.212972 -2.679244 -1.465873
H -3.973506 0.120194 -0.968162


