%chk=000159853.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159853

0 1
 P    1.360700      0.2189000     -0.3681000    
 O    1.308700      0.5713000      -1.829900    
 N   -3.227600      4.4900000E-02 -0.2385000    
 N    2.139000      -1.211300      6.6000000E-03
 N    1.966700       1.386700      0.6432000    
 C  -0.3373000     -1.4000000E-03  0.2389000    
 C   -1.133100       1.299700      0.1480000    
 C   -1.060600      -1.110200     -0.5239000    
 C   -2.590500       1.099200      0.5621000    
 C   -2.520400      -1.234200     -8.8699996E-02
 C   -4.634500     -0.1013000      0.1342000    
 C    3.551600      -1.340200     -0.3653000    
 C    1.977500      -1.697800       1.381900    
 C    3.199700       2.075900      0.2996000    
 H  -0.3039000     -0.2655000       1.302000    
 H   -1.092200       1.688400     -0.8775000    
 H  -0.6814000       2.067300      0.7864000    
 H  -0.5549000      -2.070000     -0.3726000    
 H   -1.016900     -0.9075000      -1.601600    
 H   -2.640100      0.8616000       1.633000    
 H   -3.120700       2.048000      0.4148000    
 H   -2.999200      -1.998000     -0.7135000    
 H   -2.566000      -1.587600      0.9500000    
 H    1.957700       1.191300       1.643100    
 H   -4.756900     -0.3974000       1.182400    
 H   -5.123300     -0.8526000     -0.4959000    
 H   -5.174100      0.8390000     -2.4100000E-02
 H    3.709500     -0.9644000      -1.381300    
 H    3.857500      -2.392200     -0.3656000    
 H    4.208700     -0.7880000      0.3124000    
 H    2.503600      -2.649800       1.522900    
 H   0.9337000      -1.914800       1.616300    
 H    2.367300     -0.9875000       2.117400    
 H    4.070900       1.432500      0.4346000    
 H    3.322900       2.952300      0.9429000    
 H    3.174000       2.425700     -0.7365000    


%chk=000159853-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159853

0 1
P 1.420878 0.440371 -0.229841
O 1.541173 0.787032 -1.796885
N -3.231044 -0.074023 -0.287260
N 2.410081 -0.955611 0.143457
N 1.976719 1.607475 0.957223
C -0.364963 0.131283 0.337740
C -1.252885 1.383852 0.145194
C -0.947285 -1.055820 -0.464274
C -2.719162 1.063293 0.508463
C -2.420292 -1.295590 -0.078692
C -4.669791 -0.310684 -0.066190
C 2.960544 -1.770992 -0.946770
C 2.574980 -1.457646 1.510781
C 3.369201 2.095593 0.936465
H -0.309153 -0.134262 1.413459
H -1.198641 1.707784 -0.910677
H -0.911568 2.226855 0.778925
H -0.362779 -1.976702 -0.274427
H -0.884331 -0.829356 -1.545082
H -2.787397 0.854036 1.611541
H -3.352506 1.946767 0.302872
H -2.840679 -2.104481 -0.705245
H -2.471654 -1.640948 0.990390
H 1.278910 2.288490 1.270089
H -4.915225 -0.605825 0.986643
H -5.021164 -1.115833 -0.736178
H -5.239837 0.605034 -0.305276
H 2.753470 -1.265825 -1.906018
H 2.510828 -2.786987 -0.969373
H 4.058969 -1.881630 -0.836273
H 1.992625 -2.387997 1.692478
H 2.256256 -0.687338 2.234561
H 3.642421 -1.684922 1.709834
H 3.657275 2.446830 1.943937
H 3.539178 2.913282 0.207492
H 4.032950 1.255495 0.666615


