%chk=000176553.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176553

0 1
 P   1.4000000E-03  4.0600002E-02  0.9963000    
 O   -1.246400     -0.9115000      0.5704000    
 O    1.242900     -0.9137000      0.5713000    
 O   6.0000003E-04  0.3485000       2.471300    
 C   2.4000001E-03   1.377800     -0.1564000    
 C   -3.436600      -1.124000     -0.3809000    
 C    3.433200      -1.127000     -0.3796000    
 C   -2.554600     -0.5335000      0.5243000    
 C    2.557400     -0.5343000      0.5251000    
 C   -2.968000      -2.184700      -1.321400    
 C    2.964500      -2.187900      -1.319900    
 C   -4.772800     -0.7249000     -0.4140000    
 C    4.769300     -0.7279000     -0.4130000    
 C   -3.008900      0.4562000       1.396100    
 C    3.005800      0.4537000       1.396900    
 C   2.4000001E-03   2.695700      0.3023000    
 C   3.8000001E-03   1.117600      -1.527300    
 C   -3.105300      -3.584700     -0.7301000    
 C    3.101900      -3.587800     -0.7282000    
 C   -5.227100      0.2646000      0.4580000    
 C    5.223600      0.2620000      0.4585000    
 C   -4.345200      0.8551000       1.362900    
 C    4.341900      0.8529000       1.363200    
 C   3.5999999E-03   3.751900     -0.6087000    
 C   5.1000002E-03   2.174100      -2.438200    
 C   5.1000002E-03   3.491200      -1.978900    
 H   -3.540900      -2.131400      -2.256100    
 H   -1.925300      -2.009000      -1.613100    
 H    1.921900      -2.012200      -1.611300    
 H    3.537200      -2.134800      -2.254700    
 H   -5.471400      -1.177900      -1.112500    
 H    5.467900      -1.181000      -1.111400    
 H   -2.358500      0.9332000       2.119600    
 H    2.355400      0.9304000       2.120200    
 H   1.4000000E-03   2.908300       1.367300    
 H   3.8999999E-03  9.4999999E-02  -1.893500    
 H   -2.509800      -3.689300      0.1831000    
 H   -2.759000      -4.333700      -1.449200    
 H   -4.147700      -3.809300     -0.4801000    
 H    4.144300      -3.812400     -0.4785000    
 H    2.755400      -4.337000      -1.447000    
 H    2.506600      -3.692100      0.1852000    
 H   -6.267600      0.5747000      0.4330000    
 H    6.264200      0.5721000      0.4331000    
 H   -4.699800       1.624200       2.042900    
 H    4.696600       1.622200       2.042900    
 H   3.5999999E-03   4.777400     -0.2511000    
 H   6.2000002E-03   1.971000      -3.505100    
 H   6.0999999E-03   4.313700      -2.688200    


%chk=000176553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176553

0 1
P -0.000359 0.380292 0.827636
O -1.244722 -0.793281 0.490548
O 1.243156 -0.794553 0.491872
O -0.000770 1.067791 2.264704
C 0.001009 1.586014 -0.574068
C -3.520943 -1.098783 -0.241166
C 3.519213 -1.102581 -0.239288
C -2.632866 -0.529086 0.710414
C 2.631442 -0.530989 0.711443
C -3.004177 -1.906546 -1.419629
C 3.001984 -1.911726 -1.416596
C -4.907591 -0.909621 -0.020180
C 4.905962 -0.913924 -0.018523
C -3.087624 0.192103 1.836305
C 3.086604 0.191489 1.836342
C 0.001603 2.964659 -0.261381
C 0.001430 1.134870 -1.914911
C -2.497273 -3.313930 -1.005172
C 2.494383 -3.318276 -1.000162
C -5.390441 -0.181727 1.091265
C 5.389216 -0.184760 1.091915
C -4.477523 0.369641 2.017770
C 4.476600 0.368457 2.017614
C 0.002650 3.907353 -1.313467
C 0.002485 2.085294 -2.958051
C 0.003095 3.468840 -2.657832
H -3.810622 -2.008486 -2.170175
H -2.170876 -1.363707 -1.905417
H 2.168922 -1.369164 -1.903104
H 3.808342 -2.015134 -2.167037
H -5.614878 -1.339225 -0.740123
H 5.613020 -1.344970 -0.737828
H -2.369181 0.597526 2.555896
H 2.368384 0.598267 2.555401
H 0.001235 3.280564 0.787377
H 0.000942 0.062150 -2.137087
H -1.663605 -3.224415 -0.287953
H -2.138086 -3.874655 -1.887940
H -3.303867 -3.900293 -0.529173
H 3.300678 -3.904377 -0.523335
H 2.134921 -3.880052 -1.882150
H 1.660741 -3.227348 -0.283094
H -6.468362 -0.048520 1.232864
H 6.467213 -0.052006 1.233364
H -4.839395 0.929248 2.887099
H 4.838772 0.929050 2.886181
H 0.003118 4.978024 -1.084028
H 0.002830 1.749779 -4.000448
H 0.003915 4.202825 -3.471191


