%chk=000001947.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001947

0 1
 P   -2.930100      -2.758500      0.3884000    
 O   -2.479800      -1.207000      0.4362000    
 O    1.139400       2.924900      0.7914000    
 O    4.481600      -2.362600      -1.261100    
 O    3.264800      -1.382600       1.849500    
 O    4.093700      0.4307000      0.7597000    
 O   -3.880700      -2.813300     -0.9187000    
 O   -1.593800      -3.533000     -9.0899996E-02
 O   -3.555700      -3.278600       1.649500    
 N    1.598000     -0.1185000     -0.7504000    
 N   -2.251200       3.095900     -0.5432000    
 C  -0.3195000       1.176000      5.7100002E-02
 C   0.7229000      0.1452000      0.3813000    
 C    2.603000      -1.122600     -0.4051000    
 C   -1.544000      0.7852000     -0.4647000    
 C  -5.2900001E-02   2.518800      0.2811000    
 C   -1.878600     -0.6429000     -0.7236000    
 C   -1.045200       3.433100     -3.3599999E-02
 C    3.509700      -1.380700      -1.605200    
 C   -2.469700       1.777200     -0.7460000    
 C    3.404200     -0.5793000      0.7625000    
 C  -0.8158000       4.892600      0.1859000    
 H   0.2443000     -0.7829000      0.7191000    
 H    1.266300      0.4799000       1.272700    
 H    2.124600      -2.065800     -0.1107000    
 H    1.052900     -0.4477000      -1.546700    
 H   -2.592400     -0.7016000      -1.554100    
 H   -1.013200      -1.233100      -1.035500    
 H    4.048000     -0.4765000      -1.909600    
 H    2.942300      -1.747200      -2.467500    
 H   -3.447800       1.540300      -1.153600    
 H  -0.6228000       5.094700       1.244200    
 H   3.5500001E-02   5.239600     -0.4085000    
 H   -1.692400       5.477500     -0.1121000    
 H    1.830400       2.274600      0.5864000    
 H    4.004400      -3.175600      -1.022100    
 H    3.777000      -1.050400       2.617300    
 H   -4.363400      -3.643200      -1.119900    
 H   -1.603200      -4.512900     -0.1352000    


%chk=000001947-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001947

0 1
P -2.715136 -2.914120 0.643766
O -2.576247 -1.217473 0.564173
O 1.277585 2.525503 0.135705
O 5.081578 -1.640017 -0.818806
O 3.565618 -1.975738 1.756294
O 3.250092 0.332390 1.798307
O -4.119360 -3.381805 -0.267418
O -1.525706 -3.355023 -0.526454
O -2.621477 -3.514331 2.101626
N 1.700490 0.036138 -0.611820
N -2.246637 3.268300 -0.582821
C -0.576987 0.971804 -0.295889
C 0.334182 -0.218076 -0.041061
C 2.718921 -0.970870 -0.250146
C -1.962532 0.833409 -0.590000
C -0.053823 2.289991 -0.161005
C -2.610877 -0.507263 -0.778382
C -0.920346 3.421130 -0.307013
C 3.937583 -0.831380 -1.213892
C -2.744379 2.005041 -0.717441
C 3.184753 -0.753542 1.192993
C -0.375021 4.815204 -0.131453
H -0.098370 -1.163796 -0.422083
H 0.458685 -0.341623 1.053007
H 2.329727 -2.012041 -0.314863
H 1.647862 0.158361 -1.634695
H -3.669485 -0.402027 -1.070047
H -2.083891 -1.145959 -1.511041
H 4.298678 0.210048 -1.201154
H 3.595308 -1.086112 -2.241611
H -3.816358 1.933703 -0.938170
H 0.031267 4.952907 0.887842
H 0.467634 5.000367 -0.822826
H -1.176206 5.548001 -0.311391
H 1.785203 1.630851 0.021751
H 4.791946 -2.567442 -0.623670
H 3.939613 -1.827667 2.666948
H -4.925122 -3.551221 0.284903
H -1.587964 -4.285922 -0.857864


