%chk=000005698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005698

1 1
 P    4.821000       1.451900      0.1190000    
 O    1.238300     -0.7666000       1.055600    
 O  -0.6405000      -2.713300      -1.303300    
 O    1.305600      -3.715000      0.3112000    
 O    3.791600      0.3244000      0.6582000    
 O   -4.302700       3.015600     -0.4404000    
 O   -5.425200      -1.381900      0.5129000    
 O    4.007500       2.173100      -1.078300    
 O    5.936200      0.5793000     -0.6620000    
 O    5.361100       2.373000       1.173500    
 N  -0.8150000      7.3299997E-02  0.1611000    
 N   -1.379400       2.124700     -0.2745000    
 N   -3.174400     -0.8848000      0.3866000    
 N   -4.792200      0.8056000      3.6800001E-02
 C  -1.5000000E-03  -1.115500      0.4098000    
 C   0.3802000      -1.838200     -0.8700000    
 C    1.645800      -2.558300     -0.4532000    
 C    2.308800      -1.538500      0.4659000    
 C    3.236200     -0.5855000     -0.2751000    
 C   -2.183600      0.1349000      0.1592000    
 C  -0.3377000       1.298600     -0.1057000    
 C   -2.553900       1.423200     -0.1144000    
 C   -3.898400       1.879300     -0.2011000    
 C   -4.527700     -0.5592000      0.3281000    
 H  -0.5540000      -1.769100       1.095900    
 H   0.5985000      -1.125100      -1.673700    
 H    2.260000      -2.883200      -1.297900    
 H    2.847200      -2.012300       1.294500    
 H    2.684900     -1.6200000E-02  -1.029800    
 H    4.039100      -1.145400     -0.7643000    
 H   0.6996000       1.581500     -0.1785000    
 H   -1.429400      -2.176300      -1.489200    
 H    2.138000      -4.124800      0.6026000    
 H   -1.309700       3.115700     -0.4886000    
 H   -2.882800      -1.835700      0.5870000    
 H   -5.778000       1.050500     -7.4000000E-03
 H    4.407500       2.950700      -1.522700    
 H    6.733900       1.031200      -1.010500    


%chk=000005698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005698

1 1
P 4.010169 1.601013 -0.276673
O 1.662219 -0.686456 0.985016
O -0.918819 -2.842345 -0.466370
O 1.135727 -3.824381 0.802610
O 4.275668 -0.077975 -0.013612
O -3.699835 3.404683 -0.705660
O -4.782720 -1.164820 -1.144682
O 2.998892 2.129500 1.026898
O 2.775105 1.607097 -1.484079
O 5.316821 2.446124 -0.520522
N -0.414503 0.265219 0.365830
N -0.892934 2.412464 0.218550
N -2.624138 -0.635473 -0.402132
N -4.208839 1.100277 -0.890357
C 0.284343 -1.004605 0.706036
C 0.277889 -2.028505 -0.468302
C 1.577302 -2.831601 -0.179047
C 2.539541 -1.768752 0.417009
C 3.470514 -1.150452 -0.633927
C -1.741474 0.361829 -0.081813
C 0.091024 1.535776 0.542088
C -2.044639 1.719080 -0.169822
C -3.352030 2.202087 -0.601119
C -3.943597 -0.296286 -0.836525
H -0.217097 -1.441633 1.593554
H 0.337628 -1.512688 -1.440948
H 1.984342 -3.314341 -1.086887
H 3.125046 -2.171446 1.260460
H 2.911850 -0.755658 -1.501831
H 4.210775 -1.898080 -0.969815
H 1.119292 1.766762 0.852669
H -0.731267 -3.645329 0.099971
H 1.776917 -4.568744 0.906276
H -0.815604 3.432695 0.244815
H -2.330528 -1.636118 -0.431247
H -5.160485 1.336576 -1.197283
H 3.484920 2.377750 1.854759
H 2.967422 2.198355 -2.256588


