%chk=000046347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046347

0 1
 P    3.176900     -0.6127000      0.4437000    
 O   -1.588800     -6.6699997E-02 -0.8382000    
 O   -1.254200       2.172100     -0.3851000    
 O    2.757400      0.9311000      0.5705000    
 O    4.775900     -0.5950000      0.7052000    
 O    3.065900     -0.8747000      -1.151300    
 O    2.398400      -1.568200       1.302500    
 C   -2.982400     -6.8000001E-03 -0.5544000    
 C   -3.665700      -1.272300      -1.071200    
 C   -3.192500      0.1725000      0.9483000    
 C   -5.145900      -1.300400     -0.7044000    
 C   -4.672700      0.1445000       1.315300    
 C   -5.356200      -1.118800      0.7970000    
 C  -0.8579000       1.020200     -0.4549000    
 C   0.5121000      0.5529000     -0.1353000    
 C    1.485400       1.379800      0.2769000    
 C    1.268000       2.852000      0.4495000    
 C    5.503600      -1.795600      0.5132000    
 C    3.772900     -1.3900000E-02  -2.027200    
 H   -3.408700      0.8518000      -1.091000    
 H   -3.161900      -2.157000     -0.6605000    
 H   -3.545200      -1.340800      -2.159000    
 H   -2.765800       1.114100       1.309500    
 H   -2.660700     -0.6204000       1.491000    
 H   -5.671000     -0.5034000      -1.245000    
 H   -5.588100      -2.249800      -1.026600    
 H   -5.170000       1.027100      0.8946000    
 H   -4.784800      0.2028000       2.403900    
 H   -6.429000      -1.073700       1.016000    
 H   -4.957800      -1.992000       1.328300    
 H   0.6696000     -0.5114000     -0.2605000    
 H    2.191900       3.331700      0.7930000    
 H   0.5074000       3.058900       1.208800    
 H    1.000500       3.331400     -0.4974000    
 H    5.140000      -2.562900       1.201600    
 H    6.559100      -1.602600      0.7198000    
 H    5.400300      -2.144100     -0.5173000    
 H    4.832600      3.1099999E-02  -1.766200    
 H    3.342500      0.9900000      -2.007300    
 H    3.683100     -0.4084000      -3.042700    


%chk=000046347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046347

0 1
P 3.472654 -1.085007 -0.462671
O -1.683046 -0.364597 -0.093495
O -1.228486 1.908878 0.218009
O 3.000332 0.547973 0.026296
O 5.144909 -0.938891 -0.113163
O 3.482840 -1.051876 -2.166794
O 2.664732 -2.289383 0.164121
C -3.153651 -0.068849 -0.077502
C -3.826107 -1.196813 -0.871372
C -3.660958 0.004403 1.374536
C -5.365502 -1.019035 -0.853866
C -5.200039 0.185936 1.391543
C -5.908557 -0.935274 0.593662
C -0.815309 0.725097 0.064406
C 0.574748 0.238178 0.000087
C 1.673337 1.044767 0.121122
C 1.725194 2.523041 0.380944
C 5.589421 -0.993601 1.301397
C 4.291499 -0.039624 -2.897293
H -3.302828 0.911803 -0.571345
H -3.554302 -2.167357 -0.411886
H -3.442246 -1.205559 -1.908213
H -3.164666 0.838695 1.901948
H -3.388212 -0.936445 1.892525
H -5.635792 -0.090953 -1.399077
H -5.841679 -1.857387 -1.396889
H -5.458180 1.170242 0.948919
H -5.559893 0.203524 2.437802
H -7.001988 -0.762377 0.580802
H -5.741406 -1.906709 1.103157
H 0.684018 -0.841972 -0.144640
H 2.258344 3.036293 -0.440096
H 2.288778 2.718731 1.311613
H 0.704361 2.923354 0.469107
H 5.251495 -0.092686 1.842578
H 6.687192 -1.017503 1.245754
H 5.211324 -1.907094 1.792996
H 5.361781 -0.170708 -2.668877
H 3.963179 0.981561 -2.636208
H 4.086912 -0.250373 -3.956836


