%chk=000122637.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122637

0 1
 P  -0.6578000      -3.032300     -0.3763000    
 P   -3.331900      -1.803900     -0.3019000    
 P   -3.316200      0.6147000       1.387300    
 O    2.461500     -4.3400001E-02 -0.4363000    
 O    4.584300     -0.1912000       1.744600    
 O   0.7887000      -2.307700     -0.3500000    
 O    2.015300       3.955300      0.9197000    
 O   -1.719600      -1.824600     -0.2218000    
 O  -0.8468000      -3.496500      -1.914400    
 O  -0.8293000      -4.134100      0.6288000    
 O   -1.840800       4.098300      -1.581800    
 O   -3.707000     -0.2857000      0.1035000    
 O   -3.794700      -2.663000      0.9869000    
 O   -3.913000      -2.263600      -1.606500    
 O   -4.186300       1.959400       1.169600    
 O   -4.066600     -0.1252000       2.612500    
 O   -1.843400      0.8317000       1.574300    
 N    1.399400       2.034500     -0.2557000    
 N    3.516100      -2.175100      0.2278000    
 N   9.3900003E-02   4.012500     -0.3313000    
 N    4.018300      -2.121200     -0.9051000    
 N    4.473100      -2.058800      -1.949300    
 C    2.622600      -1.061900      0.5760000    
 C    3.164500     -0.3289000       1.807700    
 C    2.542600       1.044400       1.682700    
 C    2.520800       1.252900      0.1768000    
 C    1.232900      -1.656400      0.8281000    
 C   0.4710000       1.447000      -1.105800    
 C    1.232800       3.370700      0.1677000    
 C  -0.6177000       2.064100      -1.581400    
 C  -0.8618000       3.475100      -1.180200    
 C   -1.604900       1.412800      -2.495900    
 H    2.921100     -0.8316000       2.748900    
 H    3.105100       1.831100       2.195100    
 H    1.525800       1.031900       2.093700    
 H    3.441500       1.745900     -0.1578000    
 H   0.5030000     -0.8821000       1.082400    
 H    1.262900      -2.390000       1.641300    
 H    4.862400      0.3172000       2.525500    
 H   0.6246000      0.4209000      -1.415400    
 H  -4.6599999E-02   4.975900     -3.9799999E-02
 H   -2.604900       1.425700      -2.050400    
 H   -1.348400      0.3679000      -2.700500    
 H   -1.644400       1.940900      -3.454100    
 H   -1.606600      -4.072300      -2.145600    
 H   -4.747500      -2.862200       1.107600    
 H   -4.050900       2.716300       1.778600    
 H   -3.913700      0.1959000       3.526600    


%chk=000122637-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122637

0 1
P -0.497067 -3.282224 -0.244107
P -3.179792 -1.730490 0.084252
P -3.844226 1.118892 1.400801
O 2.661508 -0.099029 -0.627513
O 4.979617 -0.535017 1.194236
O 0.522548 -1.884625 -0.236249
O 2.060059 3.691671 1.114346
O -1.910034 -2.674615 0.720244
O -1.045045 -3.290307 -1.825717
O 0.090880 -4.578598 0.424554
O -2.335582 3.620821 -0.411836
O -2.861927 -0.166275 0.744292
O -4.576149 -2.248941 0.854738
O -3.141574 -1.781501 -1.516398
O -4.216970 2.126547 0.139834
O -5.296845 0.148789 1.524570
O -3.252145 1.689639 2.746818
N 1.355239 1.865557 -0.195789
N 3.436170 -2.343047 -0.220252
N -0.127350 3.636219 0.258867
N 4.506902 -2.177668 -0.885636
N 5.468236 -2.251436 -1.563213
C 2.792337 -1.195459 0.403877
C 3.569509 -0.482759 1.560436
C 3.011260 0.957614 1.525263
C 2.698615 1.197138 0.021209
C 1.419767 -1.681707 0.913562
C 0.410957 1.318665 -1.056182
C 1.168447 3.114711 0.435628
C -0.832721 1.889980 -1.268845
C -1.166508 3.065242 -0.487068
C -1.823533 1.331521 -2.262010
H 3.383903 -0.982065 2.532427
H 3.728378 1.698867 1.906370
H 2.093471 1.041502 2.132076
H 3.462814 1.816798 -0.476946
H 0.952984 -0.926621 1.569022
H 1.564199 -2.628514 1.467271
H 5.539583 -0.196287 1.934927
H 0.717818 0.385227 -1.533786
H -0.342274 4.492606 0.781874
H -2.757237 0.994079 -1.782544
H -1.397423 0.466529 -2.794669
H -2.098733 2.100882 -3.006515
H -1.901564 -2.720363 -1.981098
H -5.110479 -1.459339 1.236902
H -3.451709 2.845594 -0.185635
H -6.144913 0.633097 1.670012


