%chk=000046353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046353

0 1
 P   -4.324100       1.029900     -0.2967000    
 O   0.2985000     -0.6921000      0.2737000    
 O   -4.276000     -0.5699000     -0.4132000    
 O   -4.161600       1.300500       1.292400    
 O   -5.888200       1.352900     -0.5691000    
 O  -0.7264000      -2.627600       1.003800    
 O    6.807300       1.409200      0.5772000    
 O    6.050400     -0.2820000       1.754500    
 O   -3.357400       1.772700      -1.174600    
 N    5.918300      0.5619000      0.8352000    
 C    1.484000      -1.377600     -0.1437000    
 C    2.568000     -0.3664000     -0.4316000    
 C    1.171700      -2.243300      -1.359200    
 C    3.724800     -0.3748000      0.3312000    
 C    2.386000      0.5503000      -1.454600    
 C    4.726300      0.5584000      6.3900001E-02
 C    3.387600       1.483600      -1.721800    
 C    4.557700       1.487700     -0.9626000    
 C  -0.7655000      -1.488600      0.5675000    
 C   -1.994400     -0.7184000      0.2614000    
 C   -3.138700      -1.299600     -0.1307000    
 C   -3.271000      -2.783100     -0.2926000    
 C   -4.316400       2.625800       1.769800    
 C   -6.861100      0.6905000      0.2199000    
 H    1.808900      -2.028200      0.6789000    
 H    2.088300      -2.649900      -1.801100    
 H   0.6369000      -1.681700      -2.133600    
 H   0.5357000      -3.096400      -1.102800    
 H    3.835200      -1.108000       1.125900    
 H    1.477500      0.5664000      -2.049400    
 H    3.255100       2.208300      -2.519900    
 H    5.316100       2.229600      -1.199200    
 H   -1.886900      0.3552000      0.3566000    
 H   -3.384400      -3.270600      0.6807000    
 H   -2.421000      -3.218100     -0.8276000    
 H   -4.162300      -3.020300     -0.8845000    
 H   -4.196400       2.623200       2.855800    
 H   -3.551100       3.269200       1.327900    
 H   -5.309600       3.008100       1.521900    
 H   -6.697700      0.8777000       1.283700    
 H   -7.847200       1.074900     -5.3700000E-02
 H   -6.839400     -0.3842000      2.2500001E-02


%chk=000046353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046353

0 1
P -4.599819 1.050427 -0.364971
O 0.205405 -0.892500 -0.608852
O -4.522997 -0.679901 -0.100400
O -4.336416 1.543149 1.270456
O -6.269543 1.183405 -0.678099
O -0.659418 -2.831796 0.373494
O 6.846181 1.366982 0.872399
O 6.200679 -0.721654 1.519519
O -3.684164 1.732815 -1.458965
N 5.999237 0.392654 0.897984
C 1.572341 -1.495512 -0.538300
C 2.557670 -0.338117 -0.499756
C 1.780408 -2.412472 -1.760674
C 3.778733 -0.489943 0.192248
C 2.300448 0.871952 -1.194878
C 4.717207 0.563263 0.167389
C 3.252513 1.916430 -1.200265
C 4.478984 1.772753 -0.519473
C -0.853669 -1.687421 -0.117489
C -2.111455 -0.947827 -0.283812
C -3.339817 -1.434123 0.078527
C -3.684564 -2.771788 0.662573
C -3.749157 2.886805 1.520942
C -7.264644 0.568407 0.241331
H 1.628922 -2.096811 0.388132
H 2.802685 -2.830765 -1.751380
H 1.647657 -1.843032 -2.697006
H 1.060960 -3.247568 -1.736082
H 4.016425 -1.400739 0.750731
H 1.343614 0.992615 -1.711388
H 3.037391 2.845839 -1.737225
H 5.236012 2.560915 -0.506091
H -2.017189 0.041287 -0.744274
H -4.170393 -2.637528 1.646141
H -2.776919 -3.381817 0.777173
H -4.406148 -3.290564 0.005281
H -3.339562 2.823275 2.539462
H -2.948653 3.107701 0.793861
H -4.535055 3.660000 1.469344
H -7.105273 0.916615 1.276743
H -8.233728 0.920159 -0.140793
H -7.197389 -0.530371 0.188643


