%chk=000003522.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003522

0 1
 P    3.897200       1.779800     -0.6328000    
 O   0.9363000      -1.916900      0.6502000    
 O    3.587100      0.1928000     -0.5320000    
 O    1.089400       1.658700      0.5701000    
 O    2.856100      -3.967600      0.8305000    
 O    5.195100       1.856200      -1.594600    
 O    4.496400       2.126500      0.8286000    
 O    2.732900       2.626200      -1.057600    
 O   -5.237100     -0.3857000      -1.588800    
 N  -0.9926000     -0.7545000     -7.7900000E-02
 N   -2.435100      0.8155000       1.092400    
 N   -2.492600      -1.463500      -1.589500    
 N   -4.669600      0.9448000      0.2220000    
 N   -3.971700       2.246200       2.059100    
 C    2.583400     -0.2449000      0.3641000    
 C    1.241600      0.3635000      1.6000001E-02
 C   0.2751000     -0.6368000      0.6401000    
 C    2.293100      -1.729600      0.2123000    
 C    3.216500      -2.611100       1.034000    
 C   -2.151100     -9.6900001E-02  0.1595000    
 C   -1.249400      -1.575600      -1.153100    
 C   -3.056900     -0.5331000     -0.7628000    
 C   -4.408100     -8.8999998E-03 -0.7695000    
 C   -3.736100       1.314800       1.079700    
 H    2.877000      1.1400000E-02   1.389400    
 H    1.114100      0.4375000      -1.071300    
 H   3.4200002E-02 -0.3836000       1.679200    
 H    2.337800      -2.038500     -0.8400000    
 H    3.112500      -2.397400       2.103000    
 H    4.260600      -2.473600      0.7363000    
 H   0.1825000       1.952700      0.3796000    
 H  -0.4970000      -2.226400      -1.578000    
 H   -1.763600       1.145200       1.778000    
 H    3.461100      -4.508100       1.366500    
 H    5.533600       2.736100      -1.865500    
 H    4.679500       3.062800       1.056400    
 H   -4.880200       2.686300       2.157100    
 H   -3.246600       2.522600       2.711900    


%chk=000003522-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003522

0 1
P 3.713861 2.083714 -0.032195
O 1.022248 -2.150946 0.872649
O 3.278802 0.456794 -0.350186
O 0.558131 1.371138 1.436175
O 3.307551 -3.797361 -0.267528
O 4.432071 2.603592 -1.481200
O 5.078020 1.870439 0.952826
O 2.521800 2.979519 0.538267
O -5.380513 -0.526865 -1.548200
N -1.109577 -1.207783 0.260827
N -2.192549 1.001656 0.680475
N -2.785987 -2.189691 -0.944566
N -4.415028 1.197746 -0.270369
N -3.477745 2.971108 0.940582
C 2.377979 -0.227244 0.617827
C 0.909290 0.258724 0.565657
C 0.126899 -1.004288 1.032712
C 2.260083 -1.697879 0.169889
C 3.422276 -2.595174 0.560968
C -2.142102 -0.283050 0.161084
C -1.563282 -2.365893 -0.428651
C -3.172074 -0.880311 -0.582191
C -4.404852 -0.115588 -0.865042
C -3.398738 1.688345 0.422086
H 2.784288 -0.134363 1.644177
H 0.662606 0.484702 -0.493612
H -0.119553 -0.908653 2.107767
H 2.115248 -1.746586 -0.928035
H 3.356201 -2.826351 1.644442
H 4.370453 -2.054553 0.352680
H 1.160279 2.153220 1.209263
H -0.947769 -3.257591 -0.495956
H -1.356484 1.428261 1.117918
H 3.952720 -4.482251 0.037637
H 3.815841 2.925900 -2.188019
H 5.587375 2.684682 1.196393
H -4.343913 3.472338 0.759678
H -2.798455 3.347443 1.596372


