%chk=000125867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125867

0 1
 P    3.107900     -0.4322000      -1.823300    
 P    3.751600       1.836400     -6.1500002E-02
 P    1.929100       1.878000       2.258200    
 O   0.1264000      -1.928700      0.9161000    
 O  -5.5599999E-02  -4.976900       1.134000    
 O    2.348300      -1.263600     -0.6614000    
 O   -3.897100      -1.706400       1.501000    
 O    4.078500      0.5842000      -1.026700    
 O   -3.983800       2.130900     -0.9614000    
 O    4.138900      -1.497300      -2.471000    
 O    2.201200      0.2349000      -2.816400    
 O    2.765000       1.203700       1.050500    
 O    2.771100       2.764700     -0.9502000    
 O    4.951500       2.542700      0.4978000    
 O   0.8510000       2.801900       1.485700    
 O    1.037900      0.6576000       2.830700    
 O    2.767700       2.592700       3.276600    
 N   -1.988500      -1.111400      0.3382000    
 N   -4.001100      0.2152000      0.2926000    
 C  -2.1400001E-02  -4.111100      1.5000000E-03
 C   0.9184000      -2.944000      0.2699000    
 C   -1.364000      -3.437900     -0.1655000    
 C   -1.263600      -2.261900      0.7923000    
 C    1.498400      -2.344800      -1.004700    
 C   -1.378000     -0.1920000     -0.5082000    
 C   -3.332400     -0.9079000      0.7517000    
 C   -1.991600      0.9025000     -0.9715000    
 C   -3.373000       1.024000     -0.4893000    
 C   -1.374300       1.910900      -1.878200    
 C   -5.322400       2.279900     -0.5146000    
 C   -5.896100       3.555800      -1.092900    
 H   0.2608000      -4.714200     -0.8665000    
 H    1.726200      -3.205500      0.9624000    
 H   -1.480100      -3.094500      -1.200600    
 H   -2.216400      -4.081000      7.5400002E-02
 H   -1.612000      -2.556500       1.789300    
 H    2.092700      -3.099100      -1.531400    
 H   0.7256000      -1.988000      -1.690100    
 H   0.8350000      -5.353000       1.238700    
 H  -0.3537000     -0.3759000     -0.7938000    
 H   -1.931600       1.975000      -2.818200    
 H  -0.3378000       1.656500      -2.122600    
 H   -1.369200       2.899000      -1.406700    
 H    4.621200      -1.252900      -3.289500    
 H   -5.933500       1.434700     -0.8536000    
 H   -5.355000       2.346500      0.5797000    
 H   -5.301800       4.421500     -0.7821000    
 H   -5.869900       3.529100      -2.187300    
 H   -6.930100       3.702800     -0.7682000    
 H    2.495300       3.637600     -0.5977000    
 H   0.2719000       3.395500       2.009500    
 H   0.4911000      0.8033000       3.631900    


%chk=000125867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125867

0 1
P 1.644478 0.712543 -1.616461
P 1.994423 2.732456 0.916823
P 1.335256 0.772662 3.354231
O 0.419070 -1.757973 0.783551
O 0.797328 -4.700826 1.317191
O 2.489000 -0.678051 -1.006958
O -1.721087 -0.368293 2.160707
O 2.230243 1.968039 -0.643310
O -3.237630 2.155737 -1.464443
O 2.470269 1.136090 -3.051793
O 0.096145 0.453637 -1.835146
O 2.251425 1.380506 1.952235
O 0.328477 3.018323 0.985624
O 2.983295 3.950370 1.002482
O -0.194500 1.396269 2.885876
O 1.308965 -0.874801 3.034007
O 1.916673 1.188032 4.753181
N -1.842112 -1.366337 0.059743
N -2.545682 0.910900 0.388644
C 0.802589 -3.990609 0.037862
C 1.466956 -2.595073 0.144449
C -0.676991 -3.655092 -0.246400
C -0.935207 -2.399830 0.609355
C 1.880049 -2.008772 -1.212916
C -2.304791 -1.318470 -1.252486
C -2.055791 -0.243453 0.917349
C -2.878982 -0.182640 -1.789974
C -2.880423 0.967761 -0.912443
C -3.354060 -0.088863 -3.215785
C -3.064342 3.398083 -0.619397
C -3.450293 4.572917 -1.507160
H 1.257363 -4.609274 -0.761838
H 2.331335 -2.578142 0.832673
H -0.805702 -3.478168 -1.326132
H -1.320141 -4.493301 0.060183
H -1.277281 -2.639641 1.626601
H 2.668077 -2.633549 -1.670995
H 1.013039 -1.935407 -1.896734
H 1.718079 -4.808256 1.666299
H -2.189216 -2.219086 -1.855675
H -4.401060 0.258608 -3.268669
H -3.280937 -1.062671 -3.729308
H -2.742024 0.645924 -3.768867
H 3.174711 1.822499 -2.913761
H -3.713144 3.291905 0.267033
H -2.011084 3.429344 -0.287980
H -2.798993 4.629001 -2.395515
H -4.499453 4.497662 -1.840632
H -3.333947 5.511224 -0.935350
H -0.108051 2.483970 1.776702
H -0.998172 0.682298 2.719681
H 0.872554 -1.199383 2.152246


