%chk=000006830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006830

0 1
 P   -2.302300       2.148200       1.153800    
 P   -3.767300     -0.1103000     -3.7400000E-02
 P   -2.359800      -1.114900      -2.427800    
 O    1.984000       1.607400      0.9763000    
 O    3.975200       1.748700      -2.012900    
 O    3.526900       3.866700     -0.3702000    
 O  -0.7039000       2.387500       1.232800    
 O   -2.466700      0.7824000      0.3067000    
 O   -2.717100       1.705500       2.653500    
 O   -3.087000       3.306900      0.6105000    
 O    1.489600      -4.701700      0.4683000    
 O   -3.193600      -1.232400      -1.048300    
 O   -4.649800      0.8453000     -0.9971000    
 O   -4.499900     -0.6574000       1.152100    
 O  -0.9496000     -0.4855000      -1.950400    
 O   -1.988600      -2.648100      -2.778700    
 O   -3.058900     -0.3583000      -3.518700    
 N    2.814100     -0.4014000      2.4700001E-02
 N   0.8620000     -0.8048000       1.418900    
 N    3.218300      -2.536500     -0.5405000    
 N   0.2321000      -3.115300       1.597100    
 N  -0.9660000      -1.409600       2.697300    
 C    2.788100       1.753500      -1.246400    
 C    2.374600       3.142300     -0.8010000    
 C    2.972500       1.049600      8.9299999E-02
 C    1.497500       2.847100      0.4117000    
 C   2.9200001E-02   2.667400      5.2499998E-02
 C    1.873500      -1.167400      0.6256000    
 C    3.610700      -1.280800     -0.6751000    
 C    2.126100      -2.462000      0.2774000    
 C    1.281600      -3.532400      0.7688000    
 C   5.4499999E-02  -1.839300       1.887300    
 H    1.987600       1.288000      -1.833400    
 H    1.878800       3.730900      -1.578200    
 H    3.963300       1.224700      0.5267000    
 H    1.600900       3.609700       1.191800    
 H  -0.1071000       1.829300     -0.6372000    
 H  -0.3710000       3.576200     -0.4080000    
 H    4.698400       2.087500      -1.458800    
 H    4.055000       4.066300      -1.161900    
 H    4.459700     -0.9498000      -1.257500    
 H   0.6692000      0.1566000       1.679300    
 H   -2.831800       2.398700       3.337900    
 H   -1.098200     -0.4258000       2.905100    
 H   -1.625700      -2.064700       3.102700    
 H   -5.180400       1.564200     -0.5925000    
 H  -0.2894000     -0.2271000      -2.628200    
 H   -1.539600      -2.845600      -3.628100    


%chk=000006830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006830

0 1
P -2.018970 2.819707 -0.126672
P -3.399382 0.063692 -0.285550
P -3.053327 -3.065285 -0.900860
O 2.123580 1.685654 1.320072
O 5.321957 2.461032 -0.057068
O 3.821732 4.187153 1.162864
O -0.472137 2.037676 0.077970
O -2.907998 1.571554 -1.022498
O -2.674598 2.771718 1.421741
O -1.939907 4.206655 -0.872319
O 0.407464 -3.546599 -1.961494
O -2.539971 -1.137464 -1.003727
O -4.976317 -0.254733 -0.907276
O -3.387125 0.306440 1.309917
O -4.523067 -2.915690 -1.753489
O -2.053152 -3.847400 -1.869106
O -3.222774 -3.234569 0.679476
N 2.910114 -0.063143 -0.118239
N 0.814668 -0.754334 1.061840
N 2.963339 -1.721752 -1.707618
N -0.222705 -2.675432 0.076367
N -1.186501 -1.736500 1.953183
C 3.910213 2.259928 -0.254835
C 3.058404 3.522965 0.103482
C 3.313180 1.135849 0.664289
C 1.724385 2.942149 0.614674
C 0.724547 2.664886 -0.518254
C 1.810271 -0.875669 0.110265
C 3.590834 -0.643714 -1.227320
C 1.834570 -1.882850 -0.885057
C 0.679957 -2.744677 -0.940800
C -0.192546 -1.727950 1.033666
H 3.766975 1.999974 -1.316980
H 2.925491 4.189435 -0.769961
H 4.029566 0.847160 1.451849
H 1.253760 3.574632 1.385035
H 1.123339 1.953985 -1.263103
H 0.446102 3.611412 -1.023443
H 5.415625 3.156205 0.654347
H 3.529704 5.121681 1.289851
H 4.532821 -0.244000 -1.595502
H 0.763611 0.115489 1.608493
H -3.035859 1.817683 1.652964
H -1.333374 -0.977677 2.616738
H -1.982175 -2.377108 1.727713
H -5.714734 0.317045 -0.578029
H -5.035099 -2.082188 -1.533403
H -0.654787 -3.813525 -1.924397


