%chk=000046349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046349

0 1
 P   -5.463800       1.322400     -0.1271000    
 O  -0.9448000     -0.7207000      0.2233000    
 O   -2.003600      -2.770200      0.1322000    
 O   -5.540400     -0.2781000     -0.2167000    
 O   -5.323100       1.608000       1.461600    
 O   -6.989300       1.763300     -0.4485000    
 O   -4.417700       1.970000     -0.9889000    
 C    5.312700     -0.4959000      8.8699996E-02
 C    6.448000      0.5312000      0.1190000    
 C    3.919900      0.1342000      0.1604000    
 C    7.837500     -9.3199998E-02 -2.7300000E-02
 C    2.826500     -0.9373000      0.1575000    
 C    8.926300      0.9819000     -6.3800000E-02
 C    1.431200     -0.3073000      0.1990000    
 C    10.31210      0.3640000     -0.2482000    
 C   0.3248000      -1.354600      0.1637000    
 C    11.39270       1.431100     -0.3187000    
 C   -2.028500      -1.552000      0.1993000    
 C   -3.247500     -0.7116000      0.2702000    
 C   -4.412800      -1.071000     -0.2900000    
 C   -4.580400      -2.358100      -1.038100    
 C   -6.275000       1.029200       2.337400    
 C   -7.504600       1.514700      -1.744800    
 H    5.441100      -1.192800      0.9262000    
 H    5.390500      -1.089200     -0.8310000    
 H    6.292000       1.254300     -0.6913000    
 H    6.399200       1.094500       1.059100    
 H    3.838200      0.7412000       1.070000    
 H    3.780100      0.8086000     -0.6930000    
 H    8.021000     -0.7807000      0.8070000    
 H    7.875700     -0.6853000     -0.9497000    
 H    2.956000      -1.600100       1.021600    
 H    2.920900      -1.555900     -0.7431000    
 H    8.901800       1.562500      0.8663000    
 H    8.725100       1.679800     -0.8858000    
 H    1.301300      0.3807000     -0.6458000    
 H    1.321000      0.3052000       1.102700    
 H    10.52980     -0.3162000      0.5834000    
 H    10.33570     -0.2309000      -1.168800    
 H   0.3963000      -1.937400     -0.7624000    
 H   0.4307000      -2.033400       1.018300    
 H    12.37540      0.9673000     -0.4492000    
 H    11.22180       2.107800      -1.162000    
 H    11.41690       2.026000      0.6000000    
 H   -3.137400      0.2309000      0.7956000    
 H   -5.489300      -2.323100      -1.649800    
 H   -3.752100      -2.546700      -1.728100    
 H   -4.683700      -3.198700     -0.3450000    
 H   -6.036000       1.335500       3.359000    
 H   -6.233100     -6.1299998E-02   2.281300    
 H   -7.281100       1.379400       2.094100    
 H   -8.514800       1.926600      -1.805900    
 H   -7.546300      0.4384000      -1.930600    
 H   -6.875400       1.998300      -2.496500    


%chk=000046349-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046349

0 1
P -5.633744 1.430223 0.010865
O -0.881420 -0.738768 -0.218312
O -1.945608 -2.815452 -0.233765
O -5.638731 -0.329147 -0.172935
O -5.648087 1.696305 1.693442
O -7.280580 1.696546 -0.386207
O -4.521769 2.235970 -0.770719
C 5.473897 -0.527148 -0.142955
C 6.585648 0.535517 0.007664
C 4.049680 0.065925 -0.057255
C 8.012434 -0.049502 -0.094770
C 2.935344 -0.995791 -0.193856
C 9.122387 1.014619 0.059329
C 1.517400 -0.380525 -0.139060
C 10.550304 0.431941 -0.047636
C 0.429145 -1.449046 -0.240196
C 11.651787 1.503369 0.104515
C -2.022513 -1.555604 -0.222050
C -3.221505 -0.699732 -0.208901
C -4.502651 -1.180255 -0.194654
C -4.965925 -2.608878 -0.213944
C -6.712746 1.102888 2.545669
C -7.690793 1.641735 -1.811094
H 5.597996 -1.301340 0.643124
H 5.595808 -1.049368 -1.115104
H 6.453879 1.315836 -0.771068
H 6.470098 1.050228 0.984577
H 3.930976 0.597889 0.909636
H 3.924035 0.832125 -0.850463
H 8.144742 -0.831913 0.681892
H 8.129221 -0.561074 -1.073297
H 3.047827 -1.749154 0.613733
H 3.066669 -1.542368 -1.151010
H 9.008781 1.524814 1.038942
H 8.989521 1.798781 -0.715485
H 1.390509 0.345620 -0.964865
H 1.386160 0.181857 0.805413
H 10.683282 -0.349983 0.727920
H 10.662328 -0.079260 -1.025763
H 0.498087 -2.028840 -1.180156
H 0.460331 -2.162591 0.604426
H 12.662338 1.061402 0.027105
H 11.560750 2.278672 -0.679723
H 11.578256 2.009945 1.085503
H -3.026082 0.377589 -0.229331
H -5.608144 -2.781942 -1.096826
H -4.097908 -3.284015 -0.245482
H -5.575527 -2.823230 0.682852
H -6.449334 1.426305 3.562978
H -6.698173 0.001362 2.474381
H -7.699544 1.495457 2.250748
H -8.732989 1.991812 -1.813102
H -7.633297 0.604525 -2.184743
H -7.061049 2.310968 -2.423186


