%chk=000011547.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011547

0 1
 P   -1.628200     -0.4932000     -0.3020000    
 P    1.247600      7.6399997E-02 -0.7870000    
 O  -0.1726000      0.1745000     -1.7100001E-02
 O   -2.069900      0.2378000      -1.688100    
 O    2.095400       1.049300      0.1955000    
 O    1.744400      -1.345800     -0.1857000    
 O   -1.533900      -1.988300     -0.4771000    
 N   -2.652200      4.1200001E-02  0.9015000    
 C   -2.212400     -0.1659000       2.283500    
 C   -4.064700     -0.3289000      0.7897000    
 C    1.934000       2.445500     -1.1800000E-02
 C    3.141500      -1.594400     -0.2473000    
 C   -2.048200       1.652200      -1.791700    
 C    2.791900       3.194500      0.9855000    
 C    3.427300      -2.954800      0.3520000    
 H   -1.204600      0.2371000       2.425200    
 H   -2.191300      -1.231100       2.536700    
 H   -2.863300      0.3565000       2.992700    
 H   -4.440900     -7.5400002E-02 -0.2067000    
 H   -4.679900      0.2195000       1.511100    
 H   -4.207100      -1.403900      0.9422000    
 H    2.244900       2.717600      -1.028400    
 H   0.8856000       2.737600      0.1294000    
 H    3.485000      -1.582800      -1.289600    
 H    3.704500     -0.8439000      0.3210000    
 H   -2.769100       1.955200      -2.555200    
 H   -2.319400       2.123600     -0.8440000    
 H   -1.053000       1.983200      -2.096900    
 H    2.693100       4.275600      0.8528000    
 H    2.505300       2.936900       2.010500    
 H    3.845600       2.919400      0.8712000    
 H    4.496700      -3.181200      0.3174000    
 H    3.091200      -2.995900       1.393400    
 H    2.883500      -3.736500     -0.1888000    


%chk=000011547-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011547

0 1
P -1.832217 0.081431 -0.981898
P 1.328881 -0.072411 -0.981189
O -0.260858 0.432265 -0.352242
O -2.586990 1.639077 -1.058992
O 2.276340 1.241246 -0.286417
O 1.609095 -1.198624 0.332091
O -1.857710 -0.605702 -2.413449
N -2.572553 -0.675555 0.395774
C -1.809300 -1.526717 1.330019
C -4.022064 -0.953981 0.305713
C 2.306223 2.547673 -0.995151
C 3.002728 -1.599980 0.672136
C -2.534689 2.510607 0.135619
C 3.375694 3.397453 -0.311964
C 2.894765 -2.615848 1.807067
H -0.745398 -1.242161 1.327806
H -1.892284 -2.603244 1.070342
H -2.211342 -1.380550 2.350998
H -4.506057 -0.243917 -0.386916
H -4.477335 -0.826634 1.306114
H -4.228790 -1.985088 -0.048276
H 2.539544 2.394143 -2.069006
H 1.307132 3.017951 -0.914343
H 3.491961 -2.046078 -0.218247
H 3.564620 -0.699392 0.979530
H -3.154626 3.381845 -0.125456
H -2.946334 1.993326 1.021842
H -1.494691 2.821124 0.340088
H 3.428293 4.395752 -0.784714
H 3.136972 3.527541 0.757224
H 4.366256 2.917935 -0.392363
H 3.903298 -2.949652 2.114475
H 2.393840 -2.164040 2.680117
H 2.314396 -3.498196 1.487569


