%chk=000012599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012599

0 1
 P   -4.462700      -1.533500      0.1397000    
 O  -0.9918000      0.8942000      0.9218000    
 O   -1.282800       3.845000      6.2300000E-02
 O   -3.483500     -0.3373000      0.6215000    
 O   -3.641100      -2.242500      -1.059200    
 O   -5.643300     -0.7447000     -0.6341000    
 O   -4.924800      -2.452800       1.232200    
 N    1.123500      0.2077000      9.5799997E-02
 N    1.804100      -1.887500     -0.2677000    
 N    3.277700       1.301800      0.3536000    
 N    5.116000     -0.2854000      0.1133000    
 N    4.756800      -2.610900     -0.3229000    
 C   -1.531200       2.622300     -0.6281000    
 C   0.2157000       1.334600      0.2766000    
 C   -2.110500       1.597200      0.3410000    
 C  -0.2028000       2.015700      -1.018400    
 C   -3.002500      0.5751000     -0.3499000    
 C    2.490500      0.2371000      0.1380000    
 C   0.7611000      -1.092400     -0.1503000    
 C    2.891600      -1.069600     -8.9900002E-02
 C    4.261000      -1.314900     -9.8099999E-02
 C    4.579000      0.9409000      0.3229000    
 H   -2.177000       2.847300      -1.480800    
 H   0.7073000       2.038500      0.9587000    
 H   -2.653800       2.068800       1.167800    
 H  -0.3471000       1.279400      -1.818100    
 H   0.5419000       2.746400      -1.348800    
 H   -2.437700      1.7200001E-02  -1.103600    
 H   -3.847100       1.076100     -0.8327000    
 H  -0.8336000       3.648500      0.9013000    
 H  -0.2715000      -1.402000     -0.2389000    
 H    5.292400       1.741200      0.4883000    
 H    4.120900      -3.380800     -0.4807000    
 H    5.756200      -2.763800     -0.3239000    
 H   -4.008800      -3.052700      -1.472100    
 H   -6.423500      -1.248800     -0.9493000    


%chk=000012599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012599

0 1
P -4.116787 -1.678139 0.124002
O -1.123598 1.170555 1.100596
O -1.443320 4.181154 0.236147
O -3.780970 -0.037475 0.430663
O -2.534358 -2.198846 -0.291438
O -4.831518 -1.759738 -1.455569
O -4.919911 -2.406158 1.270453
N 0.897394 0.223322 0.190437
N 1.378286 -1.975208 -0.252484
N 3.206060 1.141391 0.269367
N 4.898603 -0.598788 -0.136726
N 4.350686 -2.860327 -0.549754
C -1.538271 2.920609 -0.506317
C 0.170523 1.474942 0.455140
C -2.229070 1.812008 0.333338
C -0.157222 2.299942 -0.817447
C -2.999679 0.800228 -0.518571
C 2.292993 0.138059 0.117366
C 0.398959 -1.073628 -0.035277
C 2.568260 -1.227350 -0.162019
C 3.944487 -1.579555 -0.286441
C 4.485886 0.678900 0.128486
H -2.103788 3.191194 -1.411486
H 0.798456 2.044645 1.164666
H -2.914656 2.249451 1.078834
H -0.219627 1.629556 -1.693133
H 0.602059 3.070385 -1.019731
H -2.327530 0.169736 -1.127656
H -3.722904 1.321116 -1.173324
H -0.973894 4.023661 1.095672
H -0.663251 -1.310743 0.008676
H 5.282366 1.420547 0.240700
H 3.659887 -3.600687 -0.650125
H 5.346785 -3.057115 -0.620298
H -2.444262 -3.127047 -0.620964
H -5.818475 -1.855196 -1.448483


