%chk=000060172.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060172

0 1
 P   -3.483000     -0.8408000     -0.2498000    
 O   -1.803900       1.012300      0.2331000    
 O   -2.392700      -1.586700      -1.181100    
 O   -4.850000     -0.9691000      -1.102500    
 O   -3.566000      -1.339700       1.161900    
 N    1.035200       1.642600      0.2483000    
 N    2.680500       1.126400      -1.137300    
 N   0.7620000     -0.4669000       1.414100    
 N    2.342000      -2.130700      0.5824000    
 N    3.916600      -1.651500      -1.154900    
 C   8.2999999E-03   2.445900      0.9082000    
 C   -1.341500       2.355600      0.2093000    
 C    1.331000      0.3470000      0.5123000    
 C    2.361400      3.9999999E-02 -0.3619000    
 C    1.859100       2.076400     -0.7416000    
 C   -3.064400      0.8824000     -0.4104000    
 C    2.869600      -1.253900     -0.3055000    
 C    1.335800      -1.689200       1.375400    
 H  -6.2199999E-02   2.086100       1.940900    
 H   0.3669000       3.480800      0.9306000    
 H   -2.061100       2.999500      0.7276000    
 H   -1.252900       2.692500     -0.8305000    
 H    1.824200       3.081500      -1.139400    
 H   -3.813200       1.504700      8.9500003E-02
 H   -2.986700       1.170100      -1.463700    
 H   0.9369000      -2.417500       2.073400    
 H    4.268800      -2.597100      -1.094800    
 H    4.312100     -0.9990000      -1.818200    
 H   -2.401200      -2.566300      -1.230800    
 H   -5.307500      -1.836000      -1.138600    


%chk=000060172-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060172

0 1
P -3.639293 -0.897485 0.373027
O -2.126921 1.273925 0.483510
O -2.131330 -1.548958 0.707510
O -4.145130 -1.603663 -1.145612
O -4.750295 -1.033502 1.506569
N 1.007109 1.649201 0.235274
N 3.133130 1.275294 -0.571898
N 0.251469 -0.762318 0.329104
N 2.011031 -2.314973 -0.383318
N 4.130767 -1.570100 -1.106281
C -0.094264 2.466963 0.784729
C -1.396537 2.430223 -0.027704
C 1.130839 0.258549 0.088269
C 2.452899 0.058208 -0.407608
C 2.240323 2.194066 -0.177740
C -3.262700 0.823726 -0.310990
C 2.882314 -1.280830 -0.639467
C 0.769210 -2.008495 0.071575
H -0.332752 2.129732 1.809520
H 0.284902 3.501871 0.843607
H -1.975138 3.361496 0.149578
H -1.194848 2.335702 -1.115843
H 2.417537 3.267971 -0.158020
H -4.152978 1.468678 -0.191502
H -3.005130 0.712450 -1.381824
H 0.084421 -2.841748 0.249312
H 4.390197 -2.543932 -1.253158
H 4.788394 -0.816495 -1.297895
H -1.222148 -0.984466 0.615811
H -4.720979 -2.401690 -1.032535


