%chk=000002251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002251

-3 1
 P    4.360400      0.2502000     -0.2602000    
 P    2.469700      -1.920900      -1.047100    
 P   0.6856000      -2.581800       1.220600    
 O   0.5476000       1.102000      0.7816000    
 O   0.1307000       2.898300      -1.934300    
 O  -0.4242000       3.877300       1.461400    
 O    3.363300       1.125500      0.6959000    
 O    3.257800     -0.4999000      -1.204200    
 O    5.063600     -0.7965000      0.5770000    
 O    5.156300       1.209400      -1.118300    
 O    1.697900      -1.635600      0.3612000    
 O    1.441800      -2.035500      -2.150800    
 O    3.493900      -3.011200     -0.8221000    
 O   0.3828000      -1.557500       2.455700    
 O  -0.5915000      -2.777700      0.4344000    
 O    1.458100      -3.766100       1.757300    
 N   -1.730200      0.7685000      0.2254000    
 N   -3.390600      0.2982000       1.636600    
 N   -2.671500     -0.1113000      -1.833900    
 N   -4.888000      -1.061900      -1.459900    
 N   -5.930400      -1.082500      0.6941000    
 C  -0.4680000       2.742900     -0.6512000    
 C   0.3976000       3.428400      0.3865000    
 C  -0.4386000       1.267600     -0.2514000    
 C    1.300000       2.319700      0.9105000    
 C    2.595700       2.171200      0.1225000    
 C   -2.698500      0.1582000     -0.5200000    
 C   -2.191900      0.8290000       1.513500    
 C   -3.719300     -0.1250000      0.3732000    
 C   -4.846300     -0.7590000     -0.1401000    
 C   -3.813800     -0.7242000      -2.213700    
 H   -1.485200       3.145000     -0.7099000    
 H   0.9642000       4.286900      1.2500000E-02
 H  -0.1430000      0.6214000      -1.086400    
 H    1.527500       2.439100       1.975800    
 H    3.184500       3.092700      0.1667000    
 H    2.393700       1.935800     -0.9268000    
 H   0.1324000       3.848300      -2.142100    
 H   -1.022600       4.556400       1.105700    
 H   -1.620700       1.269600       2.319300    
 H   -3.881400     -0.9816000      -3.265300    
 H   -5.902000     -0.8570000       1.679200    
 H   -6.738400      -1.542500      0.2973000    
 H  -0.2433000      -1.841600       3.155400    


%chk=000002251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002251

-3 1
P 4.338285 1.227249 1.321884
P 3.234198 -1.385697 -0.651298
P 1.382911 -3.652358 0.874728
O -0.094780 1.607423 0.765626
O 0.602135 0.921013 -2.594544
O -1.151159 3.818546 -1.126853
O 2.793667 2.165302 1.320425
O 3.780291 -0.095456 0.322113
O 4.582995 0.776743 2.841082
O 5.440461 2.067267 0.495617
O 2.683826 -2.474018 0.600256
O 1.895999 -0.859027 -1.423340
O 4.417912 -2.036533 -1.507235
O 1.726786 -3.603180 2.618139
O -0.076437 -3.005254 0.611740
O 1.708964 -5.118961 0.312207
N -1.820323 0.183356 -0.007440
N -3.463521 -1.298775 0.620237
N -3.238273 2.250739 -0.171928
N -5.596266 1.803753 0.364561
N -6.350138 -0.373453 0.964139
C -0.353720 1.476338 -1.674581
C 0.018396 2.934360 -1.215009
C -0.458855 0.675283 -0.315690
C 0.701888 2.713179 0.159143
C 2.195637 2.384178 0.009074
C -2.997206 0.920267 0.058848
C -2.138919 -1.145111 0.351151
C -4.002559 -0.016794 0.442743
C -5.323379 0.474236 0.590934
C -4.541373 2.604113 -0.002769
H -1.342062 1.512160 -2.180426
H 0.691284 3.387111 -1.960649
H 0.217653 -0.204297 -0.332502
H 0.558424 3.570841 0.839138
H 2.683471 3.248513 -0.498992
H 2.327540 1.492071 -0.633218
H 1.219845 0.182863 -2.142360
H -1.913923 3.298018 -0.702234
H -1.340600 -1.926320 0.426367
H -4.781327 3.658180 -0.177115
H -6.118398 -1.346594 1.151925
H -7.285406 -0.000996 1.095216
H 2.351754 -2.837977 2.742492


