%chk=000004131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004131

0 1
 P    4.904800     -0.6079000      0.7372000    
 O   0.5247000     -0.3718000      0.3326000    
 O   0.4271000       3.124000     -0.4321000    
 O    1.920700       1.351200      -2.488400    
 O    3.297100     -0.5467000      0.5855000    
 O    5.462400     -0.1053000     -0.6953000    
 O    5.443100      0.1624000       1.907600    
 N   -1.530000      0.7604000      0.6454000    
 N   -3.606200       1.157400       1.357100    
 N   -1.932800      -1.192400     -0.7423000    
 N   -4.293500      -1.811700     -0.7389000    
 N   -5.939300     -0.5943000      0.5006000    
 C   0.3006000       1.747200     -0.7422000    
 C    1.629800       1.130000      -1.121500    
 C  -8.6999997E-02  0.9243000      0.4812000    
 C    1.378900     -0.3398000     -0.8238000    
 C    2.648400      -1.121700     -0.5372000    
 C   -2.316200     -0.2024000      7.7900000E-02
 C   -2.351000       1.552300       1.404900    
 C   -3.598800      6.1500002E-02  0.5311000    
 C   -4.608600     -0.7889000      9.2000000E-02
 C    5.319900      -2.340200      0.7676000    
 C   -2.994300      -1.947900      -1.099100    
 H  -0.4253000       1.652200      -1.559200    
 H    2.440000       1.562500     -0.5243000    
 H   0.2896000       1.366600       1.411700    
 H   0.8454000     -0.8245000      -1.650700    
 H    3.303300      -1.123600      -1.413500    
 H    2.403500      -2.156700     -0.2783000    
 H  -0.4392000       3.433300     -0.1172000    
 H    1.201800      0.9710000      -3.021200    
 H   -1.979800       2.398800       1.966400    
 H    4.883100      -2.821200       1.647200    
 H    4.952000      -2.854500     -0.1243000    
 H    6.405100      -2.469100      0.8092000    
 H   -2.778300      -2.776700      -1.764700    
 H    5.406500      0.8485000     -0.9176000    
 H   -6.177000      0.1684000       1.120200    
 H   -6.655200      -1.225600      0.1675000    


%chk=000004131-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004131

0 1
P 4.434747 -0.664082 -0.663795
O 0.542803 0.562095 1.866459
O 1.173649 3.181528 0.339489
O 1.185458 0.104900 -1.643401
O 3.834477 -0.218366 0.955674
O 3.149122 -1.532294 -1.377219
O 4.938960 0.654482 -1.400388
N -1.647863 0.958068 0.846432
N -3.873678 0.498120 1.220880
N -1.377341 -0.336847 -1.299193
N -3.456696 -1.421647 -2.000760
N -5.455302 -1.249947 -0.757161
C 0.486633 1.961005 -0.082320
C 1.461347 0.777296 -0.373495
C -0.307534 1.517977 1.168706
C 1.289400 -0.208273 0.827409
C 2.577965 -0.787151 1.465848
C -2.067026 0.142703 -0.215448
C -2.777781 1.124609 1.673657
C -3.441201 -0.120943 0.035476
C -4.137978 -0.935302 -0.905005
C 5.677631 -1.994415 -0.343261
C -2.144172 -1.104969 -2.137254
H -0.156753 2.158543 -0.961692
H 2.492005 1.166004 -0.432061
H -0.466116 2.365542 1.852850
H 0.644621 -1.046779 0.493062
H 2.584325 -1.886342 1.344666
H 2.578794 -0.530049 2.538406
H 1.916230 3.378587 -0.285993
H 0.160764 -0.133790 -1.627510
H -2.726165 1.713651 2.587163
H 6.482174 -1.581632 0.283661
H 5.190641 -2.836065 0.171346
H 6.090416 -2.335595 -1.305004
H -1.636881 -1.509360 -3.017733
H 2.336686 -0.946556 -1.680931
H -5.973950 -0.899386 0.046493
H -5.907115 -1.836219 -1.456956


