%chk=000130219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130219

0 1
 P   -6.597900      0.4980000      0.2643000    
 O    4.085200     -0.3133000      -1.954200    
 O    1.255300       2.834100     -0.1588000    
 O    1.376400      -3.676700      0.6327000    
 O  -0.7064000       1.049100     -0.7576000    
 O    1.756000       4.245100       1.590000    
 O   -5.262400     -0.4131000      0.2541000    
 O   -6.143500       1.806700     -0.5701000    
 O   -7.593300     -0.2662000     -0.7556000    
 O   -7.165200      0.7792000       1.624900    
 N    4.562700      0.1871000       1.747800    
 N    3.085000      -1.444300     -0.1202000    
 N   -2.467700     -0.8611000      9.8999999E-03
 N   9.7599998E-02   4.761700      8.3499998E-02
 C    4.695200      0.2135000      0.2932000    
 C    3.571700     -0.1431000     -0.6327000    
 C    5.029600      -1.015300       1.079700    
 C    4.045200      -2.102900      0.7559000    
 C    2.285000      0.7436000     -0.6848000    
 C    1.712800      -1.448300     -4.4500001E-02
 C    1.196800     -0.2650000     -0.3739000    
 C    2.260500       1.933200      0.2691000    
 C   0.8842000      -2.589700      0.3507000    
 C  -0.2482000     -3.1500001E-02 -0.4001000    
 C    4.419400      0.9342000      -2.541400    
 C  -0.5985000      -2.357000      0.3771000    
 C   -1.134500      -1.167900      2.5699999E-02
 C   -1.397700      -3.555400      0.8159000    
 C    1.096300       3.969500      0.5935000    
 C   -3.433500      -1.581700     -0.7748000    
 C   -4.666100     -0.7225000     -0.9993000    
 H    5.499700      0.8162000     -9.7000003E-02
 H    6.053200      -1.315300       1.230300    
 H    3.586500      8.6700000E-02   2.021400    
 H    3.583200      -2.492100       1.669000    
 H    4.536400      -2.921600      0.2211000    
 H    2.075400       1.098400      -1.700900    
 H    3.219600       2.462000      0.2347000    
 H    2.056200       1.620000       1.299600    
 H    5.330800      0.7917000      -3.130100    
 H    4.597500       1.749300      -1.833900    
 H    3.631000       1.228600      -3.241100    
 H  -0.8761000      -4.115800       1.599600    
 H   -2.359300      -3.274100       1.253800    
 H   -1.572200      -4.227400     -2.9999999E-02
 H   -2.661400      0.1307000      0.1298000    
 H   -3.737000      -2.494000     -0.2531000    
 H   -3.011200      -1.864900      -1.746000    
 H  -0.4212000       4.489800     -0.7448000    
 H  -0.1527000       5.642800      0.5194000    
 H   -4.395800      0.2055000      -1.514100    
 H   -5.385100      -1.269300      -1.617100    
 H   -6.759300       2.567700     -0.6314000    
 H   -8.507400      7.0900001E-02 -0.8684000    


%chk=000130219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130219

0 1
P -4.644342 1.631398 -0.514204
O 3.717949 0.012202 -2.277807
O 0.733477 3.010053 0.039197
O 1.591564 -3.682443 0.350848
O -1.233198 0.692208 -1.243195
O -0.769437 1.758038 1.375285
O -4.844405 0.451960 0.733372
O -3.679724 0.956867 -1.706382
O -6.196806 1.568184 -1.236550
O -4.199540 3.022663 0.112285
N 4.366959 0.271091 1.508667
N 2.919048 -1.194793 -0.422739
N -2.439851 -0.918326 0.602294
N -1.439302 3.680777 0.203394
C 4.445547 0.543892 0.019065
C 3.252120 0.182017 -0.881866
C 4.984985 -0.764946 0.591446
C 4.089564 -1.919918 0.106738
C 1.880175 0.959320 -0.825843
C 1.568271 -1.359222 -0.287059
C 0.892883 -0.181668 -0.603558
C 1.800965 2.028823 0.305111
C 0.881605 -2.632927 0.127843
C -0.521852 -0.195664 -0.617842
C 4.209078 1.230189 -2.937724
C -0.555537 -2.550387 0.378137
C -1.203977 -1.322544 0.164141
C -1.195161 -3.758578 1.036587
C -0.545325 2.740332 0.612069
C -3.630479 -1.647951 1.049681
C -4.872102 -0.996930 0.400176
H 5.091771 1.377201 -0.263024
H 6.050623 -0.951786 0.739046
H 3.412033 -0.002647 1.817387
H 3.775212 -2.625657 0.892474
H 4.595015 -2.489201 -0.694514
H 1.715726 1.478183 -1.786586
H 2.724483 2.630937 0.332787
H 1.623120 1.560924 1.290529
H 4.340400 0.948626 -3.993637
H 5.182510 1.562252 -2.527588
H 3.480168 2.062759 -2.874599
H -0.405452 -4.493258 1.264021
H -1.705856 -3.496376 1.981219
H -1.927316 -4.260757 0.376168
H -2.525607 0.101662 0.711480
H -3.728638 -1.595571 2.151452
H -3.576641 -2.705783 0.752226
H -1.129978 4.402185 -0.445443
H -2.453191 3.533338 0.359581
H -4.864415 -1.142977 -0.695023
H -5.801380 -1.400179 0.835169
H -2.630322 0.821695 -1.519150
H -6.274616 2.056513 -2.094746


