%chk=000000646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000646

0 1
 P    3.891000      -1.962200     -0.3863000    
 P    3.410900      0.6757000      0.8288000    
 P    4.610200       2.974000     -0.5795000    
 O  -0.4155000      -1.574200     -0.6059000    
 O   -2.018400      -3.943500      0.4002000    
 O    2.321000      -2.249800     -0.6522000    
 O    3.907300     -0.8602000      0.7949000    
 O    4.425900      -3.300400      0.3487000    
 O    4.674900      -1.569200      -1.604600    
 O   -6.506000       1.237300      -1.451900    
 O    4.414300       1.415600     -0.1987000    
 O    3.895200       1.207200       2.276500    
 O    1.953800      0.8830000      0.5371000    
 O    5.679900       2.923100      -1.790200    
 O    3.225200       3.361700      -1.316500    
 O    4.992600       3.856000      0.5724000    
 N   -2.568400     -0.6340000     -0.2457000    
 N   -3.237800       1.374500      0.9529000    
 N   -4.351200     -0.7694000      -1.607200    
 N   -5.339200       2.297800      0.2469000    
 N   -4.059900       3.283800       1.963400    
 C  -0.9143000      -3.257200      0.9820000    
 C   -1.284100     -0.9772000      0.3708000    
 C   6.4000003E-02  -2.835000     -0.1036000    
 C   -1.404300      -1.942900       1.546600    
 C    1.478800      -2.628900      0.4230000    
 C   -3.386500      0.4061000      4.5299999E-02
 C   -3.200700      -1.321200      -1.260200    
 C   -4.465300      0.3164000     -0.7852000    
 C   -5.528900       1.298300     -0.7155000    
 C   -4.264500       2.314800       1.013900    
 H  -0.4707000      -3.917200       1.733300    
 H  -0.8307000     -3.1199999E-02  0.6861000    
 H   7.4100003E-02  -3.532400     -0.9485000    
 H  -0.7217000      -1.615000       2.339900    
 H   -2.413800      -1.986800       1.968000    
 H    1.856700      -3.556900      0.8633000    
 H    1.505800      -1.840900       1.181400    
 H   -2.641700      -4.154200       1.116200    
 H   -2.779400      -2.211300      -1.707300    
 H   -2.439100       1.442900       1.575100    
 H    4.635700      -4.088800     -0.1957000    
 H   -3.230900       3.285700       2.547500    
 H   -4.734800       4.026700       2.108800    
 H    3.371100      0.9668000       3.070000    
 H    6.038800       3.765300      -2.142500    
 H    3.070100       4.294900      -1.575800    


%chk=000000646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000646

0 1
P 3.226706 -0.929379 -0.516727
P 2.257459 1.090489 1.818600
P 2.785348 3.419449 -0.364662
O -0.146914 -1.529955 0.729213
O -1.843506 -4.318639 -0.552141
O 1.974084 -1.847648 -1.166459
O 2.819873 -0.384394 1.072210
O 4.320734 -2.170174 -0.090020
O 3.732831 0.196994 -1.501623
O -4.927844 2.221409 -1.839693
O 3.161598 2.302003 1.103977
O 2.968251 0.923766 3.353533
O 0.684906 1.220494 1.940148
O 3.894238 2.791374 -1.443256
O 1.286927 2.837428 -0.756879
O 2.991868 4.915916 0.085598
N -2.499184 -0.983664 0.588984
N -1.587836 1.343211 0.516179
N -4.357697 -0.643286 -0.712744
N -2.935775 2.894123 -0.764942
N -0.891848 3.614654 0.219649
C -0.925319 -3.815092 0.473937
C -1.444411 -1.601123 1.416979
C -0.102674 -2.677801 -0.202962
C -1.639466 -3.110051 1.672926
C 1.360671 -3.006820 -0.444655
C -2.510884 0.358165 0.220172
C -3.652482 -1.546354 -0.026339
C -3.653875 0.570621 -0.573356
C -3.944188 1.901064 -1.129755
C -1.895779 2.582854 -0.031325
H -0.276309 -4.633889 0.846723
H -1.312355 -1.000698 2.331889
H -0.602823 -2.417147 -1.155264
H -1.125647 -3.352576 2.617610
H -2.692886 -3.418284 1.766351
H 1.467605 -3.862217 -1.131937
H 1.899333 -3.201821 0.499746
H -2.220500 -5.191025 -0.274576
H -3.882588 -2.604780 0.039401
H -0.684094 1.180192 1.030172
H 5.125197 -1.891568 0.417099
H -0.700402 3.750136 1.226593
H -1.235395 4.488546 -0.210015
H 3.862100 1.349516 3.431668
H 3.862219 1.773605 -1.575422
H 0.300236 3.259980 -0.334604


