%chk=000084389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084389

0 1
 P   -2.302300       2.148200       1.153800    
 P   -3.767300     -0.1103000     -3.7400000E-02
 P   -2.359800      -1.114900      -2.427800    
 O    1.984000       1.607400      0.9763000    
 O    3.975200       1.748700      -2.012900    
 O    3.526900       3.866700     -0.3702000    
 O  -0.7039000       2.387500       1.232800    
 O   -2.466700      0.7824000      0.3067000    
 O   -2.717100       1.705500       2.653500    
 O   -3.087000       3.306900      0.6105000    
 O    1.489600      -4.701700      0.4683000    
 O   -3.193600      -1.232400      -1.048300    
 O   -4.649800      0.8453000     -0.9971000    
 O   -4.499900     -0.6574000       1.152100    
 O  -0.9496000     -0.4855000      -1.950400    
 O   -1.988600      -2.648100      -2.778700    
 O   -3.058900     -0.3583000      -3.518700    
 N    2.814100     -0.4014000      2.4700001E-02
 N   0.8620000     -0.8048000       1.418900    
 N    3.218300      -2.536500     -0.5405000    
 N   0.2321000      -3.115300       1.597100    
 N  -0.9660000      -1.409600       2.697300    
 C    2.788100       1.753500      -1.246400    
 C    2.374600       3.142300     -0.8010000    
 C    2.972500       1.049600      8.9299999E-02
 C    1.497500       2.847100      0.4117000    
 C   2.9200001E-02   2.667400      5.2499998E-02
 C    1.873500      -1.167400      0.6256000    
 C    3.610700      -1.280800     -0.6751000    
 C    2.126100      -2.462000      0.2774000    
 C    1.281600      -3.532400      0.7688000    
 C   5.4499999E-02  -1.839300       1.887300    
 H    1.987600       1.288000      -1.833400    
 H    1.878800       3.730900      -1.578200    
 H    3.963300       1.224700      0.5267000    
 H    1.600900       3.609700       1.191800    
 H  -0.1071000       1.829300     -0.6372000    
 H  -0.3710000       3.576200     -0.4080000    
 H    4.698400       2.087500      -1.458800    
 H    4.055000       4.066300      -1.161900    
 H    4.459700     -0.9498000      -1.257500    
 H   0.6692000      0.1566000       1.679300    
 H   -2.831800       2.398700       3.337900    
 H   -1.098200     -0.4258000       2.905100    
 H   -1.625700      -2.064700       3.102700    
 H   -5.180400       1.564200     -0.5925000    
 H  -0.2894000     -0.2271000      -2.628200    
 H   -1.539600      -2.845600      -3.628100    


%chk=000084389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084389

0 1
P -2.021871 2.822699 -0.128141
P -3.396166 0.065077 -0.286881
P -3.051275 -3.059248 -0.909918
O 2.122034 1.684872 1.321130
O 5.318079 2.460721 -0.067793
O 3.820794 4.184520 1.161682
O -0.476382 2.037263 0.078808
O -2.912904 1.576274 -1.023271
O -2.679778 2.776946 1.420060
O -1.939092 4.209405 -0.873692
O 0.413092 -3.550262 -1.957326
O -2.540084 -1.132151 -1.016497
O -4.976021 -0.253785 -0.900687
O -3.374867 0.304971 1.308919
O -4.518790 -2.912328 -1.767090
O -2.047374 -3.842808 -1.872895
O -3.225757 -3.225450 0.670370
N 2.913485 -0.066623 -0.111232
N 0.814928 -0.755468 1.064519
N 2.970372 -1.727351 -1.698233
N -0.221584 -2.676217 0.077711
N -1.189446 -1.735242 1.951304
C 3.905273 2.259235 -0.257734
C 3.055001 3.522096 0.102961
C 3.312886 1.136669 0.666486
C 1.721593 2.940940 0.615602
C 0.721453 2.662985 -0.516886
C 1.812920 -0.878540 0.115685
C 3.596695 -0.648589 -1.217948
C 1.839540 -1.887144 -0.878245
C 0.684181 -2.747825 -0.936526
C -0.193103 -1.728184 1.034413
H 3.756700 1.997190 -1.318625
H 2.920856 4.189627 -0.769475
H 4.031183 0.853442 1.454303
H 1.251204 3.573524 1.386026
H 1.120018 1.950849 -1.260681
H 0.444152 3.609144 -1.023383
H 5.415567 3.154824 0.644074
H 3.526786 5.117816 1.293152
H 4.539498 -0.249150 -1.584392
H 0.763159 0.114697 1.610517
H -3.033680 1.821139 1.652934
H -1.339465 -0.973675 2.611031
H -1.985426 -2.374597 1.723269
H -5.714266 0.312242 -0.561325
H -5.034210 -2.081749 -1.543868
H -0.650207 -3.813280 -1.922413


