%chk=000017251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017251

0 1
 I   -2.970400      -3.329200      -1.415700    
 P    4.520600      -1.279500      0.4569000    
 O   0.5419000      0.3792000      0.2174000    
 O    1.605200       3.134500     -0.3504000    
 O    3.060800     -0.8114000     -6.1400000E-02
 O   -2.961100       2.061500       1.404000    
 O    4.838500     -0.2661000       1.676400    
 O    5.502700     -0.7646000     -0.7201000    
 O    4.638500      -2.738600      0.7878000    
 N   -1.798100      0.4845000      0.1883000    
 N   -4.107800      0.1978000      0.8100000    
 N   -5.315800      -1.680700      0.2283000    
 C    1.050400       2.172300      -1.239000    
 C    1.434000      0.7501000     -0.8505000    
 C  -0.4481000       2.141300      -1.042600    
 C  -0.5916000       1.259700      0.1901000    
 C    2.868000      0.5538000     -0.3950000    
 C   -1.838100     -0.7499000     -0.4447000    
 C   -2.962100      0.9699000      0.8321000    
 C   -2.929500      -1.518500     -0.4823000    
 C   -4.138200     -0.9662000      0.2104000    
 H    1.355200       2.425200      -2.258400    
 H    1.213200      6.2700003E-02  -1.677200    
 H  -0.9031000       3.124800     -0.8887000    
 H  -0.9246000       1.678200      -1.915600    
 H  -0.5410000       1.871600       1.098500    
 H    3.071000       1.154300      0.4973000    
 H    3.561100      0.8437000      -1.190400    
 H    1.275300       4.007800     -0.6229000    
 H  -0.9264000      -1.070200     -0.9368000    
 H   -6.140000      -1.316400      0.6938000    
 H   -5.397600      -2.587300     -0.2197000    
 H    5.656100     -0.3977000       2.202000    
 H    6.452000      -1.009200     -0.6870000    


%chk=000017251-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017251

0 1
I -2.898834 -3.812060 -0.391991
P 4.688162 -1.341011 0.072003
O 0.610990 0.309282 0.004737
O 1.740615 3.145579 -0.373133
O 3.322396 -0.706976 -0.722556
O -2.943564 2.353500 0.675191
O 4.545584 -0.934042 1.752776
O 5.851752 -0.156553 -0.358822
O 4.953549 -2.866577 -0.237842
N -1.787083 0.387331 0.154384
N -4.176133 0.350638 0.521615
N -5.386461 -1.623156 0.357036
C 1.046027 2.274231 -1.335587
C 1.525362 0.834352 -1.057221
C -0.466027 2.189536 -1.053628
C -0.537553 1.206766 0.140249
C 2.963249 0.734847 -0.573957
C -1.776602 -0.966933 -0.076233
C -3.019068 1.105557 0.473530
C -2.953848 -1.693953 -0.030989
C -4.178146 -0.981737 0.283239
H 1.270312 2.584149 -2.375263
H 1.399820 0.207724 -1.961507
H -0.934137 3.154868 -0.808865
H -0.992907 1.758917 -1.924900
H -0.487244 1.738168 1.106514
H 3.046747 1.054258 0.477185
H 3.642292 1.334516 -1.203265
H 1.346355 4.052484 -0.406347
H -0.796829 -1.406811 -0.274199
H -6.204691 -1.062583 0.589499
H -5.471586 -2.624765 0.195406
H 4.108840 -1.630145 2.306989
H 6.699658 -0.182002 0.150851


