%chk=000127641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127641

0 1
 P    3.322200     -0.2425000      -1.814700    
 P    3.752600       2.102300     -8.7899998E-02
 P    1.923600       2.017100       2.225400    
 O   0.4748000      -1.956600      0.9398000    
 O   0.5655000      -5.005000       1.206400    
 O    2.635100      -1.120200     -0.6417000    
 O   -3.974200       1.688100      -1.015100    
 O   -3.554900      -2.086500       1.509200    
 O    4.194400      0.8692000      -1.031800    
 O    4.447300      -1.221100      -2.442100    
 O    2.363800      0.3248000      -2.821100    
 O    2.821700       1.401300       1.031200    
 O    2.696700       2.924800     -0.9945000    
 O    4.881900       2.922000      0.4633000    
 O   0.7704000       2.828300       1.435000    
 O    1.142700      0.7310000       2.815000    
 O    2.690300       2.820200       3.234600    
 N   -1.702300      -1.341300      0.3426000    
 N   -3.825300     -0.2013000      0.2697000    
 C   0.5270000      -4.157700      6.0199998E-02
 C    1.357400      -2.906900      0.3125000    
 C  -0.8697000      -3.610200     -0.1216000    
 C  -0.8792000      -2.414900      0.8173000    
 C    1.886900      -2.278500     -0.9700000    
 C   -1.172800     -0.3845000     -0.5168000    
 C   -3.060700      -1.252500      0.7488000    
 C   -1.880000      0.6431000     -0.9995000    
 C   -3.268800      0.6480000     -0.5234000    
 C   -1.351500       1.688400      -1.920600    
 C   -5.322600       1.723700     -0.5747000    
 C   -5.403600       2.506400      0.7270000    
 C   -6.188600       2.341100      -1.662200    
 H   0.8659000      -4.746700     -0.7971000    
 H    2.182300      -3.084000       1.011400    
 H   -1.011600      -3.295100      -1.162400    
 H   -1.662200      -4.323100      0.1272000    
 H   -1.204100      -2.723800       1.817900    
 H    1.088300      -2.003300      -1.663300    
 H    2.548700      -2.984700      -1.482700    
 H    1.485800      -5.298100       1.319800    
 H  -0.1350000     -0.4803000     -0.7964000    
 H   -1.908300       1.687300      -2.863100    
 H  -0.2953000       1.523900      -2.157800    
 H   -1.437100       2.680200      -1.465000    
 H   -5.744100      0.7218000     -0.4212000    
 H    4.909400     -0.9475000      -3.263000    
 H   -4.804300       2.037800       1.514100    
 H   -6.436700       2.579600       1.081100    
 H   -5.009100       3.520200      0.5956000    
 H   -6.113500       1.758300      -2.586700    
 H   -7.239700       2.385200      -1.361000    
 H   -5.850100       3.355100      -1.902000    
 H    2.342400       3.774900     -0.6569000    
 H   0.1381000       3.375800       1.947300    
 H   0.5815000      0.8398000       3.612100    


%chk=000127641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127641

0 1
P 1.684316 0.949464 -1.367564
P 1.885050 2.804640 1.308532
P 1.224962 0.643963 3.558524
O 0.717062 -1.796669 0.825173
O 1.500175 -4.660465 1.279093
O 2.688032 -0.383124 -0.881093
O -3.663533 1.483565 -1.544506
O -1.618681 -0.681664 2.070292
O 2.172319 2.169425 -0.300716
O 2.427872 1.566438 -2.777423
O 0.165835 0.550555 -1.583981
O 2.176018 1.386096 2.246509
O 0.212150 3.025779 1.368438
O 2.828746 4.045414 1.503094
O -0.319493 1.161412 3.011551
O 1.363732 -0.981012 3.170208
O 1.667159 1.048456 5.010881
N -1.535783 -1.671490 -0.031609
N -2.673413 0.425925 0.300840
C 1.429092 -3.920322 0.019003
C 1.882569 -2.448706 0.176384
C -0.077823 -3.793911 -0.292462
C -0.534230 -2.590639 0.559513
C 2.224606 -1.758961 -1.151630
C -1.942719 -1.679234 -1.361374
C -1.960357 -0.607305 0.826123
C -2.707018 -0.665496 -1.904545
C -3.002877 0.428710 -1.003616
C -3.141325 -0.638525 -3.346785
C -3.898927 2.730027 -0.689463
C -2.632078 3.590149 -0.740259
C -5.137110 3.384028 -1.301218
H 1.984413 -4.444721 -0.784657
H 2.726847 -2.326852 0.878750
H -0.212064 -3.640099 -1.374455
H -0.600368 -4.715735 0.003286
H -0.903187 -2.885792 1.552659
H 1.354046 -1.746971 -1.834647
H 3.075064 -2.270590 -1.637673
H 2.416482 -4.636024 1.654649
H -1.636108 -2.526619 -1.974381
H -4.236402 -0.524072 -3.433452
H -2.840625 -1.559600 -3.874752
H -2.687596 0.225377 -3.864759
H -4.084272 2.370105 0.337853
H 3.071746 2.300041 -2.593812
H -1.764087 3.076850 -0.295725
H -2.799084 4.517487 -0.162210
H -2.393128 3.870158 -1.781348
H -6.004791 2.702906 -1.273405
H -5.391169 4.293486 -0.727873
H -4.950024 3.676462 -2.349253
H -0.233843 2.377005 2.066617
H -1.034610 0.397732 2.722903
H 1.029831 -1.293656 2.237973


