%chk=000085098.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085098

0 1
 P   -3.390400       1.772800      0.1673000    
 O   -1.814700       2.059300     -0.1118000    
 O   -3.549100      0.2695000     -0.4233000    
 O   -4.258800       2.760200     -0.5692000    
 C    4.053700     -8.6599998E-02  0.3132000    
 C    5.484500      0.3433000     -2.2800000E-02
 C    3.000500      0.9578000     -6.2700003E-02
 C    6.530700     -0.7304000      0.2846000    
 C    1.594500      0.4900000      0.3224000    
 C    7.930200     -0.2766000     -0.1373000    
 C   0.5361000       1.521100     -8.0300003E-02
 C    8.972000      -1.361900      0.1333000    
 C  -0.8757000       1.062100      0.2638000    
 C    10.35810     -0.9274000     -0.3155000    
 C   -4.647900     -0.5139000     -0.1937000    
 C   -5.694900     -2.4000000E-02  0.5801000    
 C   -4.707700      -1.793600     -0.7357000    
 C   -6.814100     -0.8227000      0.8147000    
 C   -5.827000      -2.592200     -0.5012000    
 C   -6.880200      -2.106700      0.2741000    
 H    3.989300     -0.2990000       1.387600    
 H    3.829700      -1.025400     -0.2086000    
 H    5.535300      0.5996000      -1.088600    
 H    5.726300       1.257100      0.5339000    
 H    3.044700       1.148900      -1.141700    
 H    3.225100       1.904300      0.4436000    
 H    6.270100      -1.655200     -0.2443000    
 H    6.520400     -0.9568000       1.357500    
 H    1.545600      0.3171000       1.404300    
 H    1.378200     -0.4661000     -0.1692000    
 H    8.200100      0.6376000      0.4053000    
 H    7.929000     -2.9700000E-02  -1.206100    
 H   0.7357000       2.479400      0.4153000    
 H   0.5954000       1.723600      -1.157000    
 H    8.697100      -2.282600     -0.3944000    
 H    8.995800      -1.596100       1.203900    
 H   -1.095300      0.1319000     -0.2697000    
 H  -0.9693000      0.8791000       1.339500    
 H    10.67730     -2.4900001E-02  0.2155000    
 H    10.37540     -0.7184000      -1.389900    
 H    11.08760      -1.717500     -0.1114000    
 H   -3.442400       1.596500       1.567200    
 H   -5.682200      0.9666000       1.021800    
 H   -3.889600      -2.175600      -1.339700    
 H   -7.634100     -0.4456000       1.419000    
 H   -5.878500      -3.592200     -0.9220000    
 H   -7.751500      -2.728800      0.4569000    


%chk=000085098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085098

0 1
P -3.595513 2.063340 1.384297
O -2.065147 1.972367 0.579664
O -4.118181 0.399783 1.570264
O -4.574830 3.099515 0.692196
C 3.928937 -0.128565 0.481989
C 5.243267 0.186869 -0.267155
C 2.749644 0.770511 0.048650
C 6.423951 -0.712007 0.164114
C 1.437088 0.457267 0.802191
C 7.739991 -0.394632 -0.581256
C 0.266948 1.366233 0.357100
C 8.919878 -1.296066 -0.151241
C -1.022422 1.047135 1.113650
C 10.231408 -0.970780 -0.898396
C -4.701419 -0.391145 0.538379
C -5.433431 0.165629 -0.536103
C -4.545723 -1.787201 0.682084
C -6.003047 -0.709818 -1.488556
C -5.131767 -2.645155 -0.274201
C -5.858161 -2.110793 -1.364538
H 4.094762 -0.016209 1.574107
H 3.659937 -1.192883 0.316320
H 5.078307 0.075747 -1.359390
H 5.513215 1.250844 -0.100978
H 2.581628 0.655389 -1.042241
H 3.020103 1.834482 0.211405
H 6.155461 -1.776057 -0.004855
H 6.587385 -0.603171 1.257018
H 1.607970 0.572638 1.893136
H 1.167533 -0.606686 0.637199
H 8.011554 0.668393 -0.410911
H 7.578357 -0.501787 -1.674527
H 0.526898 2.429195 0.520660
H 0.080768 1.240758 -0.726134
H 8.648109 -2.357690 -0.323536
H 9.079386 -1.190026 0.941450
H -1.346568 0.002904 0.943322
H -0.897254 1.210184 2.205917
H 10.541339 0.075819 -0.716965
H 10.107226 -1.097933 -1.990564
H 11.058123 -1.629116 -0.573495
H -3.293822 2.225890 2.784826
H -5.559199 1.249789 -0.622066
H -3.981851 -2.177966 1.534647
H -6.569217 -0.288771 -2.326597
H -5.017985 -3.729438 -0.166091
H -6.308633 -2.778885 -2.106091


