%chk=000122687.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122687

0 1
 P   -3.717200      0.9955000      -1.148000    
 O  -7.7799998E-02  0.4338000      0.5477000    
 O    1.426800      0.5061000       3.773200    
 O  -0.2273000       3.023700       3.015400    
 O   -2.351100       1.678700     -0.5980000    
 O    3.135200      -2.039200       1.905700    
 O   -4.879800       1.730100     -0.2854000    
 O   -3.903000       1.154500      -2.632800    
 O   -1.810600      -1.256100      -1.872400    
 N    2.157600     -0.2325000      0.7041000    
 N   -1.795100      -3.742900     -0.9990000    
 N    4.148400      -1.066700      1.4000000E-03
 N   -3.655700     -0.6304000     -0.6145000    
 N    1.937300       1.505900      -1.042700    
 N    3.809600       1.535300      -2.604700    
 N    5.618300     -8.8000000E-03  -2.372400    
 C    1.112000       1.063100       2.510100    
 C  -0.2610000       1.696400       2.527600    
 C   0.9495000     -1.2600000E-02   1.447600    
 C  -0.6228000       1.662800       1.053700    
 C   -2.118900       1.703200      0.8001000    
 C   -2.849700      -2.883000     -0.4624000    
 C    2.562500      0.4938000     -0.4321000    
 C   -2.637700      -2.865800       1.047600    
 C    3.141300      -1.221400      0.9964000    
 C   -1.334500      -3.622200       1.276500    
 C  -0.6647000      -3.638500     -8.2000002E-02
 C    3.772800     -2.8100001E-02 -0.8428000    
 C   -2.694300      -1.518900      -1.061000    
 C    4.382000      0.5105000      -1.937300    
 C    2.616700       1.973400      -2.115400    
 C   -5.168800       3.100400     -0.5044000    
 H    1.889800       1.794400       2.261500    
 H  -0.9606000       1.118200       3.142200    
 H   0.6348000     -0.9671000       1.884500    
 H  -0.1464000       2.484000      0.5036000    
 H   -2.554900       2.619700       1.209100    
 H   -2.604700      0.8448000       1.275200    
 H   -3.836400      -3.276000     -0.7299000    
 H   -2.550500      -1.854200       1.459700    
 H   -3.456900      -3.370500       1.571700    
 H   0.7395000     -0.1420000       4.003600    
 H   0.3990000       3.533900       2.474500    
 H   -1.555000      -4.645800       1.603900    
 H  -0.7119000      -3.151300       2.043100    
 H   2.2000000E-02  -4.482700     -0.1903000    
 H  -0.1045000      -2.712100     -0.2526000    
 H   -1.533300      -3.489500      -1.949600    
 H    4.995600      -1.613900     -8.6300001E-02
 H   -4.356700     -0.9552000      4.6000000E-02
 H    2.157500       2.795800      -2.651500    
 H    6.042200      0.4209000      -3.185100    
 H    6.224700     -0.4486000      -1.691300    
 H   -5.898700       3.429000      0.2392000    
 H   -5.590900       3.231300      -1.504000    
 H   -4.260600       3.700000     -0.4049000    


%chk=000122687-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122687

0 1
P -3.711486 0.969664 -1.186702
O -0.376748 0.274692 1.022763
O 0.527345 0.787859 3.967919
O 1.031873 3.550006 1.663481
O -2.348475 1.942394 -0.767241
O 1.917403 -2.506231 0.661067
O -4.935131 1.352989 0.001489
O -4.121535 1.175006 -2.698826
O -1.702407 -1.277733 -1.882796
N 2.026214 -0.099447 0.680976
N -1.777685 -3.955169 -0.981307
N 3.383269 -1.228315 -0.735140
N -3.485100 -0.644430 -0.524665
N 2.780245 2.202454 0.093835
N 4.516874 2.269087 -1.614891
N 5.389628 0.355295 -2.650121
C 1.063355 1.217055 2.670869
C 0.244444 2.400658 2.037896
C 0.931033 0.047862 1.659719
C -0.478475 1.749716 0.806081
C -1.934492 2.145827 0.646797
C -2.640991 -2.954951 -0.318421
C 2.790139 0.846348 -0.019225
C -2.175986 -2.921283 1.178774
C 2.385999 -1.421731 0.242379
C -1.507789 -4.306991 1.359277
C -0.804654 -4.521979 -0.000344
C 3.644378 0.141420 -0.909009
C -2.536958 -1.568541 -0.986199
C 4.518884 0.892988 -1.730876
C 3.670899 2.843629 -0.731010
C -5.886941 2.441575 -0.317298
H 2.100031 1.512734 2.886893
H -0.475323 2.763039 2.794260
H 0.863802 -0.929335 2.163977
H 0.062726 2.022936 -0.119844
H -2.038101 3.230087 0.831257
H -2.583917 1.584354 1.345127
H -3.709574 -3.261437 -0.371398
H -1.432560 -2.115649 1.316554
H -3.013687 -2.747968 1.877748
H -0.429945 0.550960 3.854145
H 1.761653 3.188305 1.043411
H -2.274087 -5.087074 1.522956
H -0.797528 -4.327825 2.202959
H -0.624437 -5.593426 -0.204213
H 0.170387 -3.991667 -0.001652
H -1.351235 -3.585607 -1.841496
H 3.805695 -2.018811 -1.216331
H -4.166196 -0.925804 0.188023
H 3.693840 3.934583 -0.665644
H 5.959237 1.006502 -3.188345
H 5.442858 -0.638673 -2.851849
H -6.685183 2.351989 0.434254
H -6.297491 2.313968 -1.334508
H -5.394995 3.427300 -0.233433


