%chk=000083759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083759

0 1
 P  -0.8114000     -0.4374000       1.110200    
 P   0.6595000      0.1674000     -0.6726000    
 O   -1.018200     -0.1022000       2.563500    
 O   0.8108000     -0.2260000      -2.118000    
 N  -0.7420000      0.6944000     -4.9300000E-02
 N   0.6333000     -0.9394000      0.5311000    
 N   -1.777000      -1.521200      0.3167000    
 N    1.660000       1.274200      4.2199999E-02
 C   -1.123100       2.044600      9.4200000E-02
 C    1.076900      -2.251500      0.4521000    
 C   -3.082400      -1.253700     -0.1434000    
 C    3.058300       1.326500     -0.1277000    
 C   -1.610100       2.506000       1.317400    
 C   0.6445000      -3.215800       1.380400    
 C   -1.013600       2.919000     -0.9871000    
 C    1.971000      -2.650000     -0.5581000    
 C   -1.987600       3.841400       1.459000    
 C    1.091200      -4.534800       1.301300    
 C   -1.391000       4.254400     -0.8454000    
 C    2.417600      -3.969100     -0.6372000    
 C   -3.550800      -1.862200      -1.308300    
 C    3.864000       1.866700      0.8753000    
 C   -3.907000     -0.3797000      0.5658000    
 C    3.638000      0.8383000      -1.299300    
 C   -1.877900       4.715400      0.3778000    
 C    1.977800      -4.911400      0.2925000    
 C   -4.842200      -1.596800      -1.763900    
 C    5.247700       1.918900      0.7068000    
 C   -5.198500     -0.1144000      0.1103000    
 C    5.021700      0.8905000      -1.467600    
 C   -5.666000     -0.7230000      -1.054500    
 C    5.826600       1.430800     -0.4645000    
 H   -1.399800      -2.358900     -0.1194000    
 H    1.365700       1.786200      0.8711000    
 H   -1.751200       1.893000       2.191300    
 H  -3.5599999E-02  -2.947200       2.185100    
 H  -0.6398000       2.573100      -1.947300    
 H    2.361600      -1.946100      -1.284200    
 H   -2.372800       4.200400       2.409000    
 H   0.7515000      -5.267900       2.027000    
 H   -1.307000       4.934800      -1.687700    
 H    3.113300      -4.261500      -1.418400    
 H   -2.918700      -2.543800      -1.871800    
 H    3.426800       2.250000       1.793800    
 H   -3.574100      9.2900001E-02   1.484700    
 H    3.055600      0.4342000      -2.116400    
 H   -2.173400       5.754800      0.4875000    
 H    2.327400      -5.937900      0.2322000    
 H   -5.206100      -2.070300      -2.671000    
 H    5.874400       2.339700       1.487600    
 H   -5.841400      0.5630000      0.6645000    
 H    5.472700      0.5159000      -2.381900    
 H   -6.671800     -0.5170000      -1.408700    
 H    6.903800       1.472700     -0.5963000    


%chk=000083759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083759

0 1
P -1.131506 -0.363571 0.595003
P 1.159234 0.400209 -0.656384
O -1.566410 -0.310291 2.125601
O 1.593706 0.347647 -2.187124
N -0.375212 1.106252 -0.106675
N 0.403145 -1.069533 0.045375
N -2.323184 -1.048206 -0.455482
N 2.351492 1.083747 0.394200
C -0.867559 2.433902 -0.218808
C 0.895408 -2.397141 0.157216
C -3.718850 -1.269351 -0.237234
C 3.747214 1.304256 0.175626
C -1.819343 2.915927 0.717892
C 0.427875 -3.241380 1.198305
C -0.404354 3.275902 -1.263619
C 1.851711 -2.877039 -0.775991
C -2.312060 4.232114 0.592669
C 0.908818 -4.564710 1.290328
C -0.884995 4.599338 -1.355886
C 2.344330 -4.193280 -0.651122
C -4.513362 -1.583035 -1.372410
C 4.542720 1.614651 1.311007
C -4.318483 -1.205506 1.047700
C 4.345939 1.242956 -1.109856
C -1.844747 5.082622 -0.436407
C 1.872808 -5.045950 0.374218
C -5.892344 -1.837316 -1.222735
C 5.921784 1.868306 1.160995
C -5.702334 -1.452440 1.177233
C 5.729895 1.489134 -1.239741
C -6.498247 -1.770408 0.052945
C 6.526775 1.803954 -0.115251
H -1.984515 -1.244195 -1.403160
H 2.013170 1.279421 1.342063
H -2.154016 2.270355 1.538033
H -0.291255 -2.859692 1.932522
H 0.311386 2.892367 -2.000176
H 2.189871 -2.229954 -1.593514
H -3.052606 4.597557 1.312722
H 0.539199 -5.214983 2.090870
H -0.518680 5.247995 -2.159250
H 3.088255 -4.556980 -1.368566
H -4.053817 -1.625514 -2.368031
H 4.083887 1.655001 2.307041
H -3.707676 -0.974032 1.924681
H 3.734356 1.013982 -1.986952
H -2.222994 6.106724 -0.520598
H 2.251104 -6.070045 0.458214
H -6.492128 -2.081097 -2.106635
H 6.522340 2.109599 2.045053
H -6.158439 -1.401224 2.172410
H 6.185308 1.439897 -2.235336
H -7.569834 -1.963645 0.167875
H 7.598420 1.996709 -0.230456


