%chk=000097321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097321

0 1
 P    4.527100      0.2396000     -0.6462000    
 O   0.8601000      3.7500001E-02   1.635600    
 O    3.208200     -0.6590000     -0.9657000    
 O    4.436600      0.6104000      0.9337000    
 O    1.214100      -2.494900     -0.3026000    
 O    4.245400       1.647400      -1.394500    
 O    5.822300     -0.4045000      -1.050600    
 N   -1.168200      0.1433000      0.3911000    
 N   -2.849000      -1.578600      0.2266000    
 N   -5.047600     -0.7123000     -0.3592000    
 N   -5.456600       1.611000     -0.7262000    
 C    2.010100     -0.2235000     -0.3640000    
 C    2.183500     -0.1509000       1.138700    
 C   0.8124000      -1.139000     -0.4737000    
 C  -2.2399999E-02 -0.6959000      0.7431000    
 C    3.169200      0.9405000       1.504100    
 C   -2.447000     -0.2973000      0.1625000    
 C   -1.125600       1.507600      0.2382000    
 C   -3.235600      0.8055000     -0.1418000    
 C   -2.391000       1.944000     -9.2000000E-02
 C   -4.581400      0.5571000     -0.4077000    
 C   -4.164400      -1.688100     -4.9199998E-02
 H    1.735000      0.7565000     -0.7738000    
 H    2.570800      -1.104000       1.526100    
 H   0.2993000      -1.060000      -1.436800    
 H  -0.4094000      -1.549600       1.311400    
 H    2.847100       1.924300       1.147000    
 H    3.281100       1.011600       2.590500    
 H   0.4082000      -3.039200     -0.3151000    
 H  -0.2065000       2.062400      0.3697000    
 H   -2.667800       2.972900     -0.2766000    
 H    3.436800       2.158900      -1.180600    
 H   -4.569400      -2.693800     -1.8700000E-02
 H   -5.122800       2.564200     -0.7664000    
 H   -6.427800       1.402800     -0.9148000    


%chk=000097321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097321

0 1
P 4.672970 -0.706496 -0.261858
O 0.977654 0.941698 1.341807
O 3.086457 -0.979384 -0.991084
O 4.528811 0.988681 0.193055
O 0.431732 -1.819323 -0.931994
O 5.698741 -0.611493 -1.614840
O 5.156816 -1.718321 0.844837
N -1.294318 0.567331 0.694279
N -2.293390 -1.204396 -0.692273
N -4.688971 -0.918980 -1.076897
N -5.943261 0.863406 -0.229699
C 2.095072 0.027825 -0.556747
C 2.278616 0.369825 0.948147
C 0.608739 -0.417196 -0.673388
C 0.037732 -0.026285 0.745855
C 3.445922 1.337751 1.169713
C -2.359384 -0.044950 0.039403
C -1.766653 1.720760 1.345470
C -3.529756 0.742046 0.273065
C -3.133740 1.859806 1.100139
C -4.724130 0.241502 -0.337960
C -3.500557 -1.571702 -1.213639
H 2.251524 0.947745 -1.151657
H 2.452400 -0.580365 1.500904
H 0.104792 0.206854 -1.439786
H 0.021424 -0.953301 1.360387
H 3.166951 2.372919 0.914071
H 3.855223 1.290304 2.191976
H -0.579557 -1.928565 -0.977344
H -1.080822 2.338906 1.918551
H -3.753659 2.672687 1.474259
H 5.273913 -0.269467 -2.443084
H -3.518900 -2.489513 -1.807503
H -6.061449 1.722413 0.299542
H -6.742144 0.434178 -0.693607


