%chk=000168757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168757

0 1
 P  -0.7353000     -2.3200000E-02 -0.4467000    
 O   0.7735000      0.2337000      8.5199997E-02
 O   -1.173300      -1.373800      0.3268000    
 O   -1.586300       1.122800      0.3127000    
 O  -0.8918000     -5.7599999E-02  -1.941300    
 C    3.410400      0.3911000       1.173600    
 C    4.686400     -0.2320000      0.5714000    
 C    2.807500       1.482000      0.3053000    
 C    3.703400      0.9235000       2.581600    
 C    1.525200       1.336800     -0.1884000    
 C    4.468600     -0.8135000     -0.8202000    
 C    3.572700       2.600300      3.1099999E-02
 C   0.9873000       2.346900     -0.9861000    
 C    3.035000       3.610700     -0.7662000    
 C    1.742400       3.483800      -1.275000    
 C  -0.6182000      -2.608500      0.1258000    
 C   -2.949600       1.238600      0.2818000    
 C   0.4040000      -2.761800     -0.8051000    
 C   -3.570300       2.270600      0.9782000    
 C   -1.080800      -3.699600      0.8542000    
 C   -3.703200      0.3232000     -0.4457000    
 C   0.9703000      -4.020200      -1.009600    
 C   -4.959900       2.388300      0.9468000    
 C  -0.5147000      -4.958000      0.6494000    
 C   -5.092900      0.4409000     -0.4768000    
 C   0.5111000      -5.118400     -0.2822000    
 C   -5.721400       1.473300      0.2196000    
 H    2.689600     -0.4268000       1.297800    
 H    5.036400      -1.035400       1.232000    
 H    5.498200      0.5038000      0.5236000    
 H    2.804200       1.360500       3.030400    
 H    4.040000      0.1115000       3.235700    
 H    4.484900       1.690900       2.582000    
 H    5.376200      -1.324600      -1.157300    
 H    3.652800      -1.543300     -0.8168000    
 H    4.236300     -3.6699999E-02  -1.554700    
 H    4.581000       2.717800      0.4154000    
 H  -1.1000000E-02   2.298900      -1.404800    
 H    3.622800       4.495800     -0.9916000    
 H    1.324200       4.270900      -1.895800    
 H   0.7960000      -1.939100      -1.391600    
 H   -2.981200       2.985300       1.545800    
 H   -1.879300      -3.579200       1.580800    
 H   -3.261200     -0.4957000      -1.001000    
 H    1.769800      -4.145100      -1.734200    
 H   -5.449000       3.192200       1.488900    
 H  -0.8723000      -5.812900       1.215800    
 H   -5.686200     -0.2714000      -1.042800    
 H   0.9522000      -6.098000     -0.4412000    
 H   -6.803300       1.564900      0.1955000    


%chk=000168757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168757

0 1
P -0.623453 0.134727 -0.028937
O 0.682187 0.701682 0.942323
O -1.096445 -1.263691 0.867911
O -1.870330 1.224836 0.460003
O -0.372434 -0.030093 -1.587886
C 3.534478 0.153928 0.786509
C 4.296749 -0.451982 -0.429425
C 2.932390 1.520973 0.456269
C 4.457099 0.246338 2.031642
C 1.539430 1.773320 0.505406
C 3.383728 -0.786749 -1.628191
C 3.757088 2.620585 0.097616
C 0.973404 3.034635 0.221509
C 3.220343 3.890379 -0.201952
C 1.822607 4.100245 -0.140421
C -0.406718 -2.517033 0.769342
C -3.202141 1.173059 -0.073435
C -0.011414 -3.065445 -0.470715
C -4.239347 1.358693 0.862347
C -0.215780 -3.203611 1.985775
C -3.453733 1.027445 -1.454981
C 0.601729 -4.339445 -0.475708
C -5.572421 1.403589 0.397693
C 0.387502 -4.480547 1.958285
C -4.795672 1.062421 -1.898441
C 0.801326 -5.049685 0.730709
C -5.854554 1.252523 -0.980600
H 2.703122 -0.531470 1.034955
H 4.810059 -1.372667 -0.086001
H 5.095176 0.248672 -0.748916
H 3.913723 0.655942 2.901845
H 4.836605 -0.756506 2.301616
H 5.330486 0.897695 1.839807
H 3.971535 -1.186847 -2.474903
H 2.629004 -1.545973 -1.350759
H 2.837853 0.105191 -1.984867
H 4.842022 2.470785 0.048610
H -0.110848 3.172088 0.295864
H 3.887022 4.713661 -0.480459
H 1.396685 5.083620 -0.365621
H -0.177251 -2.513291 -1.401340
H -3.992911 1.462705 1.922853
H -0.538944 -2.736834 2.920620
H -2.626405 0.887280 -2.157989
H 0.915991 -4.776999 -1.429505
H -6.387741 1.549947 1.114353
H 0.537043 -5.025551 2.896596
H -5.008480 0.946946 -2.966747
H 1.271976 -6.038375 0.714879
H -6.890139 1.283083 -1.335436


