%chk=000070196.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070196

0 1
 P  -2.6699999E-02  -1.222000     -0.4938000    
 O  -1.0000000E-03  0.2721000      -1.121000    
 O   -1.294200      -1.215200      0.5155000    
 O    1.236200      -1.258900      0.5170000    
 O  -4.5800000E-02  -2.323800      -1.515200    
 C   8.3600000E-02   3.965100     -0.3075000    
 C   -5.066700     -0.9689000      0.6324000    
 C    5.018000      -1.102900      0.6343000    
 C   4.0300000E-02   2.662800      -1.123000    
 C   -3.608700      -1.095400       1.102700    
 C    3.558100      -1.219000       1.101700    
 C   1.8700000E-02   1.402700     -0.2660000    
 C   -2.593100      -1.072900     -3.3399999E-02
 C    2.543700      -1.162200     -3.4200002E-02
 C    1.368100       4.097000      0.5117000    
 C   -1.131300       4.037900      0.6205000    
 C   -5.505300      -2.153000     -0.2303000    
 C   -5.249800      0.3350000     -0.1478000    
 C    5.316700      0.2505000     -1.2200000E-02
 C    5.339200      -2.228700     -0.3514000    
 H   3.5900000E-02   4.804400      -1.012300    
 H   -5.705600     -0.9356000       1.523500    
 H    5.662700      -1.214500       1.514800    
 H  -0.8420000       2.664600      -1.776400    
 H   0.9022000       2.623100      -1.801600    
 H   -3.375100     -0.2844000       1.805100    
 H   -3.485400      -2.021200       1.679500    
 H    3.420500      -2.156300       1.656500    
 H    3.336700     -0.4216000       1.822900    
 H   0.9052000       1.346700      0.3706000    
 H  -0.8702000       1.371300      0.3681000    
 H   -2.761400      -1.898300     -0.7309000    
 H   -2.632400     -0.1314000     -0.5868000    
 H    2.620600     -0.2238000     -0.5895000    
 H    2.674600      -1.995800     -0.7294000    
 H    2.249700       3.990700     -0.1290000    
 H    1.417500       5.083700      0.9852000    
 H    1.431300       3.348500       1.307700    
 H   -2.060900       3.861800      6.8999998E-02
 H   -1.073600       3.318600       1.443500    
 H   -1.199800       5.034900       1.070400    
 H   -5.330600      -3.099300      0.2920000    
 H   -6.576400      -2.087000     -0.4504000    
 H   -4.975800      -2.187200      -1.187600    
 H   -6.315100      0.5153000     -0.3315000    
 H   -4.756000      0.3118000      -1.124400    
 H   -4.864300       1.190600      0.4166000    
 H    4.781300      0.3861000     -0.9571000    
 H    6.387200      0.3418000     -0.2260000    
 H    5.040100       1.070500      0.6587000    
 H    6.416200      -2.254700     -0.5526000    
 H    4.836400      -2.098100      -1.314800    
 H    5.058000      -3.204500      5.8499999E-02


%chk=000070196-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070196

0 1
P 0.060504 -0.285753 -0.926003
O -0.053409 1.368954 -1.412948
O -1.199783 -0.498254 0.239669
O 1.388836 -0.343688 0.175394
O 0.091893 -1.278858 -2.162304
C -0.095860 5.030930 -0.236104
C -4.805836 -1.751064 0.706215
C 4.834448 -1.949922 0.766981
C -0.153192 3.757769 -1.130191
C -3.358405 -1.253006 0.990218
C 3.457492 -1.260508 0.999150
C 0.003559 2.439971 -0.367234
C -2.539124 -0.939734 -0.264257
C 2.646543 -1.020737 -0.276719
C 1.276072 5.203055 0.461824
C -1.252727 5.085364 0.792301
C -4.825746 -3.095326 -0.062676
C -5.669668 -0.685620 -0.013228
C 5.795354 -1.084101 -0.085237
C 4.690183 -3.371634 0.170150
H -0.225731 5.889656 -0.927579
H -5.262243 -1.931153 1.702075
H 5.289778 -2.056764 1.773770
H -1.117700 3.731555 -1.672769
H 0.645511 3.809984 -1.894790
H -3.399475 -0.340267 1.615612
H -2.813548 -2.020589 1.572340
H 2.845734 -1.879117 1.683190
H 3.616001 -0.285289 1.498846
H 0.974142 2.368506 0.155828
H -0.813787 2.273270 0.358565
H -2.403367 -1.825652 -0.910683
H -2.985704 -0.120454 -0.858490
H 3.171512 -0.352329 -0.983742
H 2.384156 -1.960545 -0.794906
H 2.106386 5.151600 -0.267210
H 1.333972 6.181301 0.973941
H 1.444509 4.420678 1.225593
H -2.234070 4.947732 0.300699
H -1.146014 4.301035 1.565291
H -1.267594 6.060804 1.312791
H -4.190562 -3.851697 0.435399
H -5.853693 -3.498545 -0.118820
H -4.461359 -2.976206 -1.100276
H -6.723750 -1.014013 -0.074431
H -5.319778 -0.510381 -1.047990
H -5.646524 0.281564 0.523397
H 5.441457 -0.991798 -1.129226
H 6.803176 -1.537636 -0.118691
H 5.895454 -0.064557 0.332236
H 5.668366 -3.886738 0.148370
H 4.311061 -3.341201 -0.868509
H 3.994050 -3.989694 0.767466


