%chk=000036735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036735

0 1
 P    4.567600     -0.8884000      0.8572000    
 P    3.726700       1.120500      -1.131000    
 P    1.820300       2.986400     -0.4204000    
 O  -0.3068000      -2.036200       1.381500    
 O   -1.046700      -1.881700      -2.132600    
 O   0.2770000      -3.930900     -0.9352000    
 O    3.257800      -1.812800      0.6377000    
 O    4.119100      0.5792000      0.3479000    
 O    4.668900     -0.7083000       2.461700    
 O    5.819600      -1.408800      0.2126000    
 O   -5.191700       2.611300      0.9963000    
 O    5.167300       1.055400      -1.878000    
 O    2.703200      0.2445000      -1.802900    
 O    1.833500       2.823800       1.194900    
 O    1.574200       4.585500     -0.5641000    
 O   0.7237000       2.185800      -1.070200    
 N   -1.993300     -0.5602000      0.6025000    
 N   -4.119300      -1.011500     -0.4898000    
 N   -2.520600       1.449600       1.453700    
 N   -5.756100      0.7260000     -0.2281000    
 N   -6.209600      -1.237900      -1.449900    
 N    3.368100       2.723500     -0.9399000    
 C  -0.3296000      -1.604800     -0.9470000    
 C   0.7635000      -2.616400     -0.6642000    
 C   -1.202300      -1.748400      0.2905000    
 C   0.9638000      -2.466600      0.8406000    
 C    2.015300      -1.425700       1.198600    
 C   -3.267000     -0.2839000      0.2368000    
 C   -1.580800      0.5257000       1.343100    
 C   -3.579300      0.9378000      0.7575000    
 C   -4.889700       1.516300      0.5375000    
 C   -5.377100     -0.4488000     -0.6971000    
 H   8.9400001E-02 -0.5949000      -1.015200    
 H    1.657100      -2.465100      -1.275300    
 H   -1.904900      -2.586100      0.2057000    
 H    1.221800      -3.426200       1.303200    
 H    2.107200      -1.351700       2.287600    
 H    1.730700     -0.4334000      0.8338000    
 H  -0.4072000      -1.885800      -2.865000    
 H   0.9865000      -4.555500     -0.7068000    
 H  -0.5892000      0.5928000       1.769900    
 H   -3.889900      -1.918600     -0.8823000    
 H    5.058100      -1.432600       2.996500    
 H   -5.907200      -2.138400      -1.804800    
 H   -7.153600     -0.9417000      -1.672700    
 H    4.094100       3.309200     -0.5297000    
 H    5.530200      0.1780000      -2.124700    
 H   0.9850000       2.893000       1.682300    
 H   0.6839000       4.944700     -0.3627000    


%chk=000036735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036735

0 1
P 4.446408 -0.887337 0.365601
P 3.436581 1.690781 -1.223468
P 0.643746 2.322304 -0.132087
O -0.217506 -2.672668 1.770833
O -1.789446 -2.767693 -1.490393
O 0.004432 -4.504696 -0.729860
O 3.128484 -1.979004 0.282311
O 3.783438 0.708338 0.185750
O 4.669742 -0.803864 2.069410
O 5.663727 -1.278480 -0.552820
O -2.656935 3.432457 0.011426
O 4.724048 2.833799 -1.254786
O 3.226821 0.832200 -2.535278
O 0.528927 2.685494 1.523759
O -0.239292 3.503122 -0.950894
O 0.408383 0.774422 -0.493685
N -1.786047 -0.914480 1.267437
N -3.350534 -0.567044 -0.646582
N -1.614175 1.245844 1.952835
N -3.963376 1.753862 -0.981070
N -4.925630 0.073120 -2.292450
N 2.257912 2.760890 -0.587143
C -0.778711 -2.258293 -0.570698
C 0.494433 -3.134388 -0.504817
C -1.310255 -2.278242 0.905854
C 1.006812 -2.903477 0.930267
C 1.897586 -1.660328 1.065383
C -2.624699 -0.161196 0.458753
C -1.200249 -0.016345 2.167150
C -2.522861 1.175596 0.873775
C -3.056240 2.212234 -0.011118
C -4.076522 0.460527 -1.283608
H -0.520429 -1.227477 -0.872435
H 1.252626 -2.846519 -1.253969
H -2.143752 -2.995596 1.022416
H 1.510244 -3.792883 1.341917
H 2.163521 -1.502335 2.124870
H 1.419667 -0.756014 0.641052
H -1.622011 -3.750555 -1.569769
H 0.745691 -5.106718 -0.980367
H -0.480212 -0.337228 2.912286
H -3.135018 -1.473800 -1.108576
H 4.993611 0.074044 2.396510
H -5.128504 -0.900660 -2.501922
H -5.384071 0.815697 -2.815769
H 2.543426 3.741578 -0.503256
H 5.440299 2.614460 -1.903739
H -0.368642 2.304162 1.919559
H -1.203750 3.650093 -0.598595


