%chk=000000981.chk
%nprocshared=4
%mem=8GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000981

0 1
 P   -6.424200       2.354700      7.8000002E-02
 O   -2.855100     -8.9500003E-02 -0.2578000    
 O   -2.182900      -3.571400     -0.6239000    
 O   -4.467000      -2.858500       1.355900    
 O   -5.148700       1.417200      0.4143000    
 O   -6.700800       2.040100      -1.483900    
 O   -7.651800       1.617000      0.8290000    
 O    3.423800      -1.166700      -1.525800    
 O   -6.248700       3.807600      0.4105000    
 O    5.116700      -1.763600       1.454900    
 O    7.158500      -1.172400      0.6694000    
 O    6.083800       3.871200      0.2984000    
 O    5.025600       2.681300      -1.319700    
 N  -0.5884000     -0.7666000     -0.2717000    
 N    1.073500      0.2141000      0.8274000    
 N   0.5359000      -1.898300      -2.032100    
 N    3.827700      0.1655000      0.3119000    
 C   -2.432000      -2.404400      0.1400000    
 C   -3.914500      -2.133200      0.2740000    
 C   -1.956200      -1.161600     -0.6015000    
 C   -3.929800     -0.6345000      0.5266000    
 C   -5.235400      3.0500000E-02  0.1291000    
 C   0.5545000      -1.111000     -0.9367000    
 C  -0.2270000      2.9300001E-02  0.7795000    
 C    1.566700     -0.4937000     -0.2401000    
 C    2.966000     -0.5466000     -0.5414000    
 C    5.259200      0.2334000      0.1238000    
 C    5.826600       1.541700      0.6817000    
 C    5.956500     -0.9552000      0.7647000    
 C    5.587500       2.723700     -0.2343000    
 H   -1.949900      -2.528000       1.116500    
 H   -4.455000      -2.407700     -0.6392000    
 H   -2.014200      -1.275100      -1.689400    
 H   -3.710400     -0.4009000       1.576400    
 H   -5.411200     -9.4899997E-02 -0.9443000    
 H   -6.070000     -0.4077000      0.6847000    
 H   -2.614600      -3.470200      -1.489200    
 H   -3.995600      -2.605400       2.167700    
 H  -0.9416000      0.4405000       1.479700    
 H    1.389900      -2.145600      -2.522700    
 H  -0.3118000      -2.303500      -2.414800    
 H    3.428700      0.6205000       1.128600    
 H    5.458900      0.1514000     -0.9518000    
 H    6.913000       1.459000      0.8073000    
 H    5.386000       1.767000       1.660200    
 H   -7.381800       2.561600      -1.959700    
 H   -8.535400       2.043000      0.8250000    
 H    5.587800      -2.524000       1.857500    
 H    5.933800       4.641800     -0.2899000    


%chk=000000981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000981

0 1
P -6.395113 2.132140 1.264619
O -3.094560 0.005891 -0.714891
O -2.070277 -3.269219 -1.913992
O -4.295361 -3.303837 0.481075
O -5.182886 0.930422 1.265003
O -6.544593 2.673520 -0.375611
O -7.781517 1.125972 1.320876
O 3.388035 -1.546958 -0.772875
O -6.180862 3.261953 2.345588
O 4.451152 -0.983910 2.684368
O 6.662330 -0.313030 2.500869
O 6.019041 3.293974 -1.217418
O 5.983161 1.110122 -2.006925
N -0.725366 -0.405399 -0.651871
N 0.834227 0.881631 0.388312
N 0.709138 -2.177297 -1.609677
N 3.661679 0.412960 0.494285
C -2.361175 -2.316800 -0.849346
C -3.836868 -2.232808 -0.381411
C -2.009484 -0.835625 -1.228351
C -3.888872 -0.813355 0.244548
C -5.285752 -0.239357 0.353503
C 0.507524 -1.031075 -0.884032
C -0.467528 0.763123 0.118525
C 1.462759 -0.223708 -0.227491
C 2.888672 -0.511217 -0.194653
C 5.093196 0.237268 0.664728
C 5.884050 1.544437 0.426955
C 5.503832 -0.353753 2.026699
C 5.952125 1.903614 -1.043688
H -1.721840 -2.642614 -0.008842
H -4.517897 -2.274572 -1.253535
H -1.982791 -0.708706 -2.328608
H -3.401405 -0.805849 1.242494
H -5.656684 0.075452 -0.639631
H -5.972638 -0.978863 0.801978
H -2.786603 -3.260331 -2.597474
H -3.675957 -3.417370 1.247104
H -1.266519 1.431699 0.421656
H 1.693781 -2.467446 -1.653690
H -0.050416 -2.749841 -1.985124
H 3.156089 1.159387 0.981039
H 5.397728 -0.514428 -0.096198
H 6.919052 1.402742 0.793999
H 5.455291 2.389473 0.992375
H -6.005275 3.476856 -0.591701
H -8.655266 1.582116 1.232551
H 4.794344 -1.392212 3.525691
H 6.102901 3.496731 -2.189007


