%chk=000096910.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096910

0 1
 P  -1.4200000E-02 -0.4866000     -0.5067000    
 O   0.3137000     -0.8648000      -1.936200    
 N  -0.4872000      -1.797900      0.4110000    
 N    1.298300      0.1988000      0.2965000    
 N   -1.280300      0.6127000     -0.3841000    
 C  -0.2263000      -3.109200     -0.1590000    
 C   -1.619900      -2.556000     -9.3199998E-02
 C    1.902800       1.385600     -0.3216000    
 C    2.377100     -0.7025000      0.7172000    
 C   -1.661600       1.126600      0.9343000    
 C   -2.491900      0.3268000      -1.156600    
 C    2.798200       2.110600      0.6355000    
 C    3.220300      -1.133300     -0.4432000    
 C   -2.489100      0.1360000       1.694200    
 C   -3.327800       1.555000      -1.346600    
 C    3.881600       2.803800      0.2674000    
 C    4.530200     -0.8829000     -0.5499000    
 C   -2.130300     -0.3930000       2.869500    
 C   -4.593400       1.670500     -0.9284000    
 H   0.2590000      -3.179500      -1.121300    
 H   4.5600001E-02  -3.880000      0.5500000    
 H   -2.289600      -2.962500      0.6517000    
 H   -2.058300      -2.328800      -1.054000    
 H    2.396500       1.164400      -1.274900    
 H    1.090800       2.082300     -0.5646000    
 H    2.987500     -0.2554000       1.511100    
 H    1.958600      -1.597600       1.189400    
 H   -2.202600       2.077000      0.8627000    
 H  -0.7574000       1.380700       1.499600    
 H   -3.095700     -0.4897000     -0.7540000    
 H   -2.195000      3.3000000E-03  -2.162000    
 H    2.512100       2.137900       1.685000    
 H    2.746100      -1.710700      -1.232100    
 H   -3.478000     -0.1231000       1.327600    
 H   -2.873800       2.397400      -1.863100    
 H    4.469800       3.338400       1.005100    
 H    4.198900       2.848300     -0.7686000    
 H    5.088000      -1.235500      -1.410500    
 H    5.067100     -0.3290000      0.2120000    
 H   -2.791700      -1.077100       3.389600    
 H   -1.176700     -0.1585000       3.329500    
 H   -5.145800       2.587900      -1.099900    
 H   -5.099700      0.8611000     -0.4146000    


%chk=000096910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096910

0 1
P -0.190726 -0.727467 -0.680268
O -0.359197 -1.049119 -2.249836
N -0.174212 -2.173765 0.398735
N 1.266691 0.064455 -0.138084
N -1.483760 0.313879 -0.155029
C 0.157298 -3.507261 -0.258526
C -1.265698 -3.194026 0.157760
C 1.649321 1.317528 -0.841838
C 2.354502 -0.658288 0.570923
C -1.571510 0.781578 1.250245
C -2.618024 0.586624 -1.070127
C 1.920893 2.441701 0.139853
C 3.371075 -1.285482 -0.370313
C -2.567556 0.003547 2.095449
C -2.795065 2.072713 -1.318631
C 3.085848 3.132388 0.211570
C 4.697464 -1.001816 -0.371014
C -2.240988 -0.709666 3.201079
C -3.936092 2.766068 -1.078637
H 0.370002 -3.495518 -1.335193
H 0.779543 -4.166434 0.354500
H -1.682262 -3.619945 1.075068
H -1.985125 -3.000600 -0.648348
H 2.536962 1.143948 -1.482483
H 0.814883 1.598483 -1.514160
H 2.858218 0.063221 1.242025
H 1.877457 -1.430984 1.200018
H -1.861953 1.852626 1.230334
H -0.562503 0.716943 1.695943
H -3.560982 0.156573 -0.674347
H -2.384071 0.072355 -2.023468
H 1.092927 2.682023 0.823094
H 2.965463 -2.005983 -1.097857
H -3.619578 0.052153 1.775725
H -1.913778 2.587147 -1.731076
H 3.229483 3.949634 0.927526
H 3.927893 2.902253 -0.453947
H 5.392172 -1.487147 -1.065953
H 5.127269 -0.277574 0.333569
H -2.997813 -1.239960 3.791064
H -1.201685 -0.787999 3.543695
H -4.019352 3.835738 -1.300904
H -4.827531 2.276954 -0.664338


