%chk=000126056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126056

0 1
 P   -4.853300       1.099600      0.3681000    
 O   0.1484000      0.8527000      0.5227000    
 O   -1.676800      -1.090200      -1.879000    
 O   0.8360000      -2.448800     -0.6780000    
 O   -3.407300      0.7545000     -0.2874000    
 O   -4.973200     -3.5100002E-02   1.527400    
 O   -4.892500       2.495300      0.9303000    
 N    2.394000      0.3265000     -8.7000001E-03
 N   -5.998100      0.7056000     -0.7613000    
 N    3.935300       1.732900     -0.7967000    
 N    3.836800      -1.360100      0.9789000    
 N    6.192700     -0.7946000      0.6853000    
 N    6.906300       1.191300     -0.4434000    
 C  -0.9876000     -0.8450000     -0.6678000    
 C   -1.021800      0.6251000     -0.2814000    
 C   0.4987000      -1.081100     -0.8311000    
 C    1.075000     -0.2265000      0.2921000    
 C   -2.260500       1.012400      0.5062000    
 C    3.605000     -0.2155000      0.3187000    
 C    2.645600       1.495700     -0.6779000    
 C    4.546700      0.6713000     -0.1782000    
 C   -6.168700     -0.7085000      -1.086200    
 C   -6.314100      -1.546700      0.1865000    
 C   -5.115900      -1.392600       1.120600    
 C    5.884400      0.3478000      2.5599999E-02
 C    5.164900      -1.566200       1.114700    
 H   -1.405500      -1.495200      0.1094000    
 H  -0.9521000       1.257700      -1.175800    
 H   0.8425000     -0.7591000      -1.821900    
 H    1.168400     -0.7872000       1.229800    
 H   -2.219700       2.075500      0.7678000    
 H   -2.317600      0.4477000       1.443500    
 H   -1.307400     -0.5102000      -2.566200    
 H    1.805800      -2.515000     -0.7036000    
 H    1.857900       2.130400      -1.060700    
 H   -5.990400       1.245500      -1.626000    
 H   -5.308700      -1.057200      -1.668700    
 H   -7.062000     -0.8311000      -1.707500    
 H   -7.224700      -1.235600      0.7139000    
 H   -6.433600      -2.601600     -8.4200002E-02
 H   -5.260800      -1.998600       2.020100    
 H   -4.190200      -1.721500      0.6371000    
 H    5.448300      -2.472800       1.638700    
 H    6.678700       2.044900     -0.9351000    
 H    7.870800      0.9350000     -0.2821000    


%chk=000126056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126056

0 1
P -5.027420 1.017614 0.482901
O 0.114255 1.471617 0.212018
O -1.763532 -1.487755 -1.039081
O 0.843559 -2.109106 0.641416
O -3.529635 1.204684 -0.415596
O -4.753242 -0.443580 1.376047
O -5.416940 2.261641 1.381783
N 2.386322 0.746920 0.186684
N -6.124480 0.538821 -0.738933
N 4.217225 2.014714 -0.371100
N 3.479981 -1.491992 0.323211
N 5.879561 -1.375677 -0.163431
N 6.985411 0.640267 -0.699571
C -1.026966 -0.665273 -0.089299
C -1.143744 0.865928 -0.347303
C 0.498447 -0.911871 -0.070037
C 1.017049 0.387832 0.609064
C -2.313264 1.580234 0.335920
C 3.465657 -0.137075 0.116224
C 2.896549 2.025035 -0.106578
C 4.585685 0.663961 -0.229419
C -6.086980 -0.813095 -1.349382
C -5.967072 -1.905498 -0.262724
C -4.701544 -1.725613 0.591766
C 5.833196 -0.013137 -0.369263
C 4.729311 -2.028606 0.163937
H -1.447114 -0.937570 0.893674
H -1.173443 1.072515 -1.436373
H 0.875814 -0.917387 -1.122011
H 1.000344 0.264290 1.711021
H -2.177525 2.674427 0.279324
H -2.385128 1.281811 1.399713
H -1.376475 -1.377046 -1.945041
H 1.865092 -2.170627 0.606436
H 2.250838 2.898097 -0.123247
H -6.690537 1.262869 -1.179842
H -5.241383 -0.903015 -2.062810
H -7.025387 -0.947235 -1.915926
H -6.861780 -1.884505 0.385822
H -5.918836 -2.897333 -0.752781
H -4.620664 -2.495636 1.375452
H -3.789145 -1.730289 -0.034173
H 4.815893 -3.107847 0.316308
H 6.972131 1.646708 -0.853537
H 7.849617 0.108183 -0.782766


