%chk=000000622.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000622

0 1
 P    3.644200      -2.005300     -0.5275000    
 P    3.319700      0.5682000      0.8644000    
 P    4.604000       2.892500     -0.4211000    
 O  -0.6412000      -1.396100     -0.6237000    
 O   -2.339900      -3.745400      0.2652000    
 O    2.056900      -2.198800     -0.7753000    
 O    3.738400     -0.9845000      0.7211000    
 O    4.126200      -3.412700      0.1082000    
 O    4.422600      -1.572400      -1.735700    
 O    4.338300       1.323900     -0.1363000    
 O    3.858200      0.9805000       2.331700    
 O    1.869300      0.8642000      0.6198000    
 O    5.645800       2.868600      -1.656700    
 O    3.225800       3.393700      -1.100100    
 O    5.052300       3.678200      0.7758000    
 N   -2.737200     -0.3783000     -0.1551000    
 N   -4.537000     -0.3433000      -1.476600    
 N   -3.204300       1.564200       1.227900    
 N   -5.309200       2.623600      0.5927000    
 N   -6.683200       1.790000      -1.180400    
 C   -1.191800      -3.152600      0.8644000    
 C  -0.2152000      -2.708600     -0.2140000    
 C   -1.459700     -0.8224000      0.4088000    
 C   -1.604700      -1.855600       1.522900    
 C    1.218100      -2.605700      0.2923000    
 C   -3.484000      0.6967000      0.2436000    
 C   -3.414000     -0.9692000      -1.192300    
 C   -4.593400      0.6999000     -0.5868000    
 C   -5.527200       1.711300     -0.3849000    
 C   -4.178000       2.495300       1.327500    
 H  -0.7670000      -3.880600       1.561700    
 H  -0.2563000      -3.349300      -1.101800    
 H  -0.9552000      7.8800000E-02  0.7746000    
 H  -0.8910000      -1.613300       2.319800    
 H   -2.606600      -1.878000       1.963600    
 H    1.558000      -3.577600      0.6638000    
 H    1.299200      -1.870900       1.098800    
 H   -2.958900      -3.971400      0.9803000    
 H   -3.046000      -1.847900      -1.704000    
 H   -4.035900       3.242500       2.101100    
 H   -7.346800       2.534400      -1.014500    
 H   -6.848000       1.110600      -1.910700    
 H    4.285700      -4.173300     -0.4901000    
 H    3.338400      0.7147000       3.120000    
 H    6.039200       3.713500      -1.962500    
 H    3.112100       4.348100      -1.295600    


%chk=000000622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000622

0 1
P 3.005723 -1.436729 -1.171307
P 2.981190 -0.412962 1.836232
P 1.888904 2.587563 0.641261
O 0.107465 -1.107807 0.075624
O -2.129738 -3.609377 0.973873
O 1.954309 -2.784424 -1.272517
O 3.485700 -1.407944 0.477107
O 4.358936 -2.138443 -1.932130
O 2.595654 -0.059876 -1.848496
O 2.473597 0.911290 1.036839
O 4.494820 0.014664 2.502458
O 2.032274 -1.234724 2.809819
O 1.875684 2.320766 -1.028277
O 0.340375 2.518367 1.173634
O 2.872777 3.686530 1.198010
N -2.099592 -0.090677 0.235954
N -4.059739 -0.294696 -0.958487
N -1.710474 2.354098 -0.188887
N -3.418881 3.380298 -1.571230
N -5.253479 2.156072 -2.403116
C -0.882292 -2.924224 1.370062
C -0.136016 -2.573519 0.051901
C -0.867827 -0.488185 0.980342
C -1.107289 -1.552298 2.071115
C 1.220922 -3.262364 -0.072494
C -2.379057 1.165598 -0.295544
C -3.149127 -0.934289 -0.206107
C -3.587544 1.027456 -1.023433
C -4.104934 2.184152 -1.675886
C -2.279899 3.412079 -0.849218
H -0.283217 -3.591927 2.018595
H -0.783620 -2.823731 -0.809535
H -0.397138 0.438036 1.350695
H -0.321636 -1.404897 2.830355
H -2.099214 -1.478248 2.546279
H 1.088342 -4.341059 -0.257264
H 1.831794 -3.102597 0.834420
H -2.532715 -4.049623 1.763109
H -3.169095 -1.991965 0.059473
H -1.749433 4.364409 -0.777772
H -5.575028 3.009712 -2.857227
H -5.770696 1.283611 -2.501787
H 4.928612 -1.480365 -2.408879
H 4.757679 -0.527924 3.289884
H 2.152150 1.386839 -1.356354
H -0.678525 2.483535 0.443209


