%chk=000108538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108538

0 1
 P   5.0299998E-02  0.7149000     -0.7359000    
 O  -0.4493000     -0.7302000     -0.2041000    
 O   -1.157500       1.724500     -0.3500000    
 O    1.701000       2.538800     -2.0199999E-02
 O   0.4185000      0.7302000      -2.192400    
 C    1.374900       1.205400      0.3660000    
 C   -1.501100      -1.426100     -0.8488000    
 C   -1.652600       1.711000      0.9778000    
 C    2.626700      0.3673000      0.3250000    
 C   -2.072600      -2.456200      0.1151000    
 C   -3.044000       2.328000      0.9901000    
 C   -3.204700      -3.257000     -0.5219000    
 C   -4.015600       1.544800      0.1120000    
 C    2.768900     -0.7165000       1.191700    
 C    3.642800      0.6748000     -0.5797000    
 C   -3.743500      -4.313500      0.4291000    
 C   -5.414100       2.139000      0.1611000    
 C    3.927400      -1.492600       1.153800    
 C    4.801200     -0.1013000     -0.6177000    
 C    4.943400      -1.185100      0.2491000    
 H    1.027500       1.249300       1.403300    
 H   -1.096600      -1.911300      -1.742800    
 H   -2.275200     -0.7177000      -1.159900    
 H  -0.9898000       2.310300       1.609100    
 H   -1.687900      0.6937000       1.378600    
 H   -2.428700      -1.949300       1.020600    
 H   -1.269800      -3.128000      0.4441000    
 H   -2.986200       3.359400      0.6210000    
 H   -3.414100       2.365400       2.021100    
 H   -4.019000      -2.583100     -0.8123000    
 H   -2.846900      -3.746500      -1.435300    
 H   -3.672200       1.539400     -0.9288000    
 H   -4.059300      0.5011000      0.4445000    
 H    1.982800     -0.9674000       1.898700    
 H    3.552800       1.504000      -1.275900    
 H   0.8936000       3.073300      6.8499997E-02
 H   -2.959900      -5.023900      0.7116000    
 H   -4.554400      -4.873900     -4.6799999E-02
 H   -4.137300      -3.855100       1.341800    
 H   -5.413400       3.174000     -0.1955000    
 H   -5.810100       2.127000       1.181500    
 H   -6.093800       1.561600     -0.4734000    
 H    4.037700      -2.336900       1.827800    
 H    5.591100      0.1357000      -1.324400    
 H    5.844900      -1.790000      0.2187000    


%chk=000108538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108538

0 1
P -0.940088 0.529963 0.607536
O -1.600415 -0.813528 1.506945
O -1.545892 1.911076 1.491691
O 1.181376 2.150241 1.275057
O -1.273225 0.465778 -0.952581
C 0.862626 0.740050 1.301449
C -2.244351 -1.933147 0.756896
C -3.000038 2.216344 1.610800
C 1.863207 -0.047906 0.495944
C -1.296115 -3.133151 0.658648
C -3.390487 3.421435 0.746704
C -1.977001 -4.347057 -0.018214
C -3.465335 3.130429 -0.768960
C 2.280915 -1.327097 0.938467
C 2.377681 0.479368 -0.714259
C -1.036501 -5.567472 -0.117893
C -3.799905 4.395031 -1.588474
C 3.205565 -2.076012 0.176931
C 3.306602 -0.267297 -1.469397
C 3.720979 -1.546841 -1.028720
H 0.764286 0.341030 2.330583
H -2.543495 -1.577470 -0.248238
H -3.145659 -2.178050 1.346816
H -3.147466 2.425942 2.684854
H -3.588123 1.316441 1.341917
H -0.959465 -3.412712 1.676310
H -0.394925 -2.843853 0.083150
H -2.671009 4.241427 0.942514
H -4.379288 3.781804 1.102837
H -2.886874 -4.626651 0.551364
H -2.317150 -4.059999 -1.033676
H -2.510593 2.694144 -1.116925
H -4.237255 2.354939 -0.951373
H 1.890723 -1.733542 1.879895
H 2.057650 1.472782 -1.042029
H 0.409390 2.649985 1.660707
H -0.136966 -5.325323 -0.714047
H -1.540566 -6.425533 -0.598861
H -0.698831 -5.891152 0.884685
H -3.022904 5.171384 -1.454109
H -4.768546 4.831865 -1.277808
H -3.862422 4.165702 -2.667665
H 3.528411 -3.062604 0.527274
H 3.705446 0.145053 -2.402781
H 4.441934 -2.124515 -1.618061


