%chk=000030243.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030243

0 1
 P    4.146000      0.5628000     -0.5595000    
 P    2.794800       3.159000     -0.2579000    
 O   0.7832000      -1.772300       1.128700    
 O   4.7400001E-02  -5.223700      0.4452000    
 O    1.895100      -4.380400       2.250900    
 O    2.911500     -0.2750000      6.7000002E-02
 O    3.950900       2.062300      1.2700000E-02
 O    5.445200      2.6600000E-02  0.2418000    
 O    1.492700       2.477600      0.4102000    
 O    4.264600      0.4849000      -2.054100    
 O  -0.5685000       2.390600       2.544500    
 O   -2.569900       2.555900     -0.4946000    
 O    3.179300       4.352400      0.7643000    
 O   -4.537700       2.965400       1.412600    
 O    2.652000       3.575000      -1.692800    
 O   -4.391800      0.2920000       1.516500    
 N   -1.250700      -2.345900      4.9600001E-02
 N   -3.315500      -2.137900     -0.7648000    
 N  -9.7400002E-02 -0.6983000      -1.312700    
 N   -1.626600      0.3874000      -2.874500    
 N   -3.953900     -0.1595000      -2.983600    
 C   0.6497000      -3.962400      0.2376000    
 C    1.984700      -3.818800      0.9414000    
 C  -0.1518000      -2.838800      0.8769000    
 C    2.126400      -2.304900       1.064100    
 C    2.835100      -1.676600     -0.1277000    
 C   -1.180200      -1.385500     -0.9189000    
 C   -2.552900      -2.767400      0.1045000    
 C   -2.470500      -1.271100      -1.411200    
 C   -2.676400     -0.3426000      -2.426600    
 C  -0.4201000      0.1675000      -2.298100    
 C  -0.7976000       2.391600       1.136000    
 C   -2.208500       2.921900      0.8379000    
 C   0.2886000       3.235900      0.4673000    
 C   -3.284900       2.431800       1.816700    
 C   -3.392100      0.9203000       1.850700    
 H   0.7757000      -3.803200     -0.8402000    
 H    2.807000      -4.316100      0.4193000    
 H  -0.5912000      -3.138400       1.836700    
 H    2.626400      -2.006900       1.992600    
 H    3.843400      -2.092600     -0.2266000    
 H    2.298400      -1.854600      -1.063500    
 H  -0.8232000      -5.208800      1.2900000E-02
 H    2.749700      -4.229600       2.689900    
 H   -2.884900      -3.532300      0.7933000    
 H  -0.7038000       1.354400      0.7958000    
 H   -2.212400       4.019000      0.8754000    
 H   0.3973000      0.7713000      -2.678000    
 H   0.4781000       4.155000       1.031600    
 H   1.7700000E-02   3.497500     -0.5594000    
 H   -3.080500       2.782800       2.833400    
 H   -4.739000     -0.7022000      -2.650300    
 H   -4.078300      0.5221000      -3.719700    
 H    6.336500      0.3009000     -6.2399998E-02
 H  -0.6557000       3.305800       2.861800    
 H   -1.967000       3.007800      -1.107400    
 H   -2.503100      0.3860000       2.226200    
 H   -5.186800       2.742800       2.102000    
 H    3.313900       4.139300       1.712300    


%chk=000030243-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030243

0 1
P 2.249317 0.875948 -0.967792
P 2.511966 3.886957 -0.177282
O 0.307693 -1.214001 1.164833
O -0.636829 -4.709193 1.147856
O 0.934845 -3.624412 2.957018
O 2.887124 -0.069105 0.299690
O 3.142876 2.306881 -0.606395
O 3.071075 0.224319 -2.324943
O 1.502856 3.565325 1.167687
O 0.693912 1.131099 -1.150256
O 0.070188 2.401014 3.148949
O -2.757815 2.650595 0.835327
O 3.945729 4.422202 0.564826
O -4.077578 1.711149 3.013578
O 1.891989 4.765865 -1.329771
O -2.966272 -0.669212 2.466460
N -1.245814 -1.824211 -0.579401
N -2.736865 -0.781852 -1.987736
N 0.606892 -2.226423 -2.209050
N 0.082467 -1.332124 -4.439216
N -1.958181 -0.242188 -4.928195
C 0.130020 -3.581086 0.619587
C 1.329656 -3.360705 1.578367
C -0.655509 -2.239646 0.692683
C 1.625054 -1.855146 1.449730
C 2.635544 -1.540920 0.339822
C -0.629156 -1.772090 -1.837880
C -2.502805 -1.196551 -0.734818
C -1.566021 -1.129503 -2.686766
C -1.161188 -0.894207 -4.032110
C 0.872164 -1.972207 -3.527809
C -0.565003 2.551701 1.829234
C -2.063289 2.727529 2.110838
C 0.014144 3.759164 1.086530
C -2.621625 1.639790 3.093861
C -2.139377 0.235853 2.779903
H 0.484445 -3.768341 -0.409605
H 2.192455 -3.996005 1.293030
H -1.473305 -2.304834 1.432052
H 1.968996 -1.450986 2.416006
H 3.618816 -1.978541 0.584167
H 2.283721 -1.904239 -0.644692
H -1.244953 -5.075016 0.461522
H 0.304102 -4.394635 2.938642
H -3.180783 -1.084139 0.108086
H -0.399931 1.648727 1.207047
H -2.244187 3.708198 2.601758
H 1.839011 -2.325848 -3.900320
H -0.202868 4.710249 1.602730
H -0.327604 3.790887 0.038709
H -2.264969 1.889928 4.112499
H -2.860839 0.121466 -4.628059
H -1.616859 -0.081384 -5.873708
H 2.569714 0.314073 -3.177894
H 1.047572 2.514970 3.017072
H -3.725804 2.569087 1.056194
H -1.052421 0.035676 2.847872
H -4.403005 0.778698 2.855324
H 4.684912 3.761202 0.510009


