%chk=000157929.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157929

0 1
 P    3.795800     -0.7790000     -0.6143000    
 P    2.938800       2.034800     -0.7305000    
 P   0.6657000       3.109000      0.8130000    
 O   0.3737000      -1.190100      0.3712000    
 O   0.5304000      -4.578200       1.545400    
 O    3.001700      -2.053600     -1.1900000E-02
 O   -2.503800      -1.546300      -2.490500    
 O    2.762200      0.4530000     -0.4601000    
 O   -5.213600       1.169900     -2.5599999E-02
 O    4.929200     -0.4518000      0.4926000    
 O    4.325200     -0.9667000      -2.006400    
 O    1.448500       2.619900     -0.5134000    
 O    3.152400       2.132600      -2.329900    
 O    3.999700       2.708800      8.8900000E-02
 O  -0.8269000       3.406000      0.2683000    
 O   0.4898000       1.751600       1.672200    
 O    1.317500       4.248300       1.539700    
 N   -1.855000      -1.022700     -0.3334000    
 N   -3.894500     -0.1895000      -1.312100    
 C   0.5586000      -3.532700      0.5966000    
 C   0.9538000      -2.200400       1.213200    
 C  -0.8249000      -3.220500      7.8400001E-02
 C  -0.6537000      -1.799600     -0.4268000    
 C    2.455900      -1.994600       1.294900    
 C   -2.153000     -0.3383000      0.8403000    
 C   -2.743600     -0.9500000      -1.439400    
 C   -3.253300      0.4052000      0.9996000    
 C   -4.106100      0.4178000     -0.1956000    
 C   -3.609400       1.152700       2.238300    
 C   -6.061400       1.204200      -1.162800    
 H    1.214500      -3.818400     -0.2336000    
 H   0.5257000      -2.094900       2.217900    
 H   -1.561200      -3.286500      0.8900000    
 H   -1.158300      -3.910900     -0.7029000    
 H  -0.2902000      -1.808300      -1.461200    
 H    2.673500      -1.023500       1.752100    
 H    2.927200      -2.773100       1.902500    
 H   0.1641000      -5.363700       1.104600    
 H   -1.453100     -0.4423000       1.661700    
 H   -3.691800       2.224300       2.029500    
 H   -2.853200       1.025200       3.020200    
 H   -4.564900      0.7999000       2.639300    
 H    5.618100      0.2143000      0.2828000    
 H   -6.921100       1.835900     -0.9191000    
 H   -6.442800      0.2063000      -1.404200    
 H   -5.554200       1.654100      -2.023000    
 H    3.370400       3.002400      -2.727400    
 H   -1.485600       3.801100      0.8785000    
 H   9.6100003E-02   1.803800       2.569100    


%chk=000157929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157929

0 1
P 3.564840 -0.901319 -0.733347
P 1.783168 1.479542 -1.620755
P 0.239968 2.501460 1.057474
O 0.226091 -1.133395 1.368759
O 0.553686 -4.516333 2.191749
O 3.143641 -2.059775 0.450888
O -0.858822 -0.277379 -2.270848
O 1.997723 -0.133656 -0.954085
O -4.687717 1.798138 -0.557212
O 4.429581 0.296182 0.123384
O 4.193766 -1.577593 -2.006581
O 0.528445 2.067414 -0.607416
O 0.950669 1.277418 -3.040589
O 3.181046 2.236467 -1.600939
O 0.889810 1.231384 1.916433
O 1.392685 3.705232 1.424677
O -1.287748 2.894610 1.211598
N -1.609849 -0.851704 -0.129911
N -2.789460 0.770259 -1.454064
C 0.758712 -3.487741 1.169437
C 1.139586 -2.177474 1.917674
C -0.537173 -3.139567 0.382337
C -0.392277 -1.639722 0.093229
C 2.611019 -1.750988 1.798040
C -2.566681 -0.739567 0.876981
C -1.732669 -0.094134 -1.350269
C -3.642320 0.118910 0.771568
C -3.672633 0.891183 -0.453609
C -4.665475 0.314473 1.860168
C -4.689038 2.685408 -1.751143
H 1.571570 -3.765864 0.473557
H 0.882800 -2.287480 2.986848
H -1.406320 -3.338847 1.034889
H -0.641088 -3.721474 -0.547602
H 0.287443 -1.421343 -0.745629
H 2.741786 -0.681069 2.043602
H 3.219246 -2.360715 2.488318
H 0.695459 -5.413303 1.799961
H -2.384336 -1.330769 1.777120
H -4.629473 1.353065 2.234984
H -4.484312 -0.369555 2.706504
H -5.689007 0.145247 1.481578
H 4.365407 1.199140 -0.325624
H -5.568885 3.327042 -1.606291
H -4.768650 2.083300 -2.670261
H -3.756668 3.271231 -1.776500
H 0.085591 0.671109 -2.902920
H 0.564363 0.265082 1.660580
H 1.075400 4.632972 1.279960


