%chk=000051118.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051118

0 1
 P    2.447700      1.1900000E-02  0.1650000    
 O    2.617900      0.2317000       1.649100    
 O   -1.255200       1.172200     -0.2659000    
 O  -0.2134000      0.3792000       1.623900    
 N    3.562200      0.8061000     -0.7755000    
 N    2.522400      -1.576500     -0.3135000    
 N   0.9193000      0.5892000     -0.3824000    
 C    4.943700      0.3575000     -0.6610000    
 C    4.506300       1.669400     -7.7799998E-02
 C    1.627200      -2.501500      0.3691000    
 C    1.375500      -2.089100      -1.051700    
 C   -2.539200      0.7343000      0.1655000    
 C   -3.619900       1.390800     -0.6926000    
 C   -2.612300     -0.7901000      9.3400002E-02
 C   -5.010600      0.8782000     -0.3328000    
 C   -4.002800      -1.302900      0.4533000    
 C   -5.083100     -0.6455000     -0.4025000    
 C  -0.1858000      0.6853000      0.4366000    
 H    5.518900      0.3741000      -1.576200    
 H    5.160500     -0.4533000      2.0900000E-02
 H    4.447200       1.756900      0.9971000    
 H    4.785400       2.573900     -0.6016000    
 H   0.9884000      -2.104800       1.145000    
 H    2.024300      -3.491300      0.5476000    
 H    1.613000      -2.805000      -1.829700    
 H   0.4878000      -1.511700      -1.251200    
 H   0.8171000      0.8844000      -1.349200    
 H   -2.686300       1.061700       1.203700    
 H   -3.414100       1.199900      -1.753900    
 H   -3.576900       2.480100     -0.5737000    
 H   -1.885500      -1.264700      0.7611000    
 H   -2.344500      -1.123100     -0.9182000    
 H   -5.751800       1.314100      -1.011900    
 H   -5.270800       1.209600      0.6800000    
 H   -4.203400      -1.101100       1.512700    
 H   -4.041000      -2.390200      0.3221000    
 H   -6.071700     -0.9830000     -7.1500003E-02
 H   -4.967700     -0.9677000      -1.444700    


%chk=000051118-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051118

0 1
P 2.588967 0.053519 0.329660
O 2.869113 0.691448 1.767402
O -1.275360 0.656408 -0.411330
O -0.302325 -0.781745 1.187213
N 3.494675 0.734067 -1.059112
N 2.969996 -1.668055 0.221886
N 0.986592 0.393919 -0.378871
C 5.008388 0.682946 -0.987035
C 4.296236 2.003232 -0.780935
C 2.333552 -2.683871 1.144293
C 2.054824 -2.720977 -0.351036
C -2.650325 0.317134 0.097780
C -3.529613 1.534657 -0.213957
C -3.158982 -0.964476 -0.584711
C -4.997052 1.254922 0.199542
C -4.625812 -1.244120 -0.167973
C -5.536840 -0.030922 -0.471845
C -0.206979 0.022444 0.221356
H 5.486750 0.459935 -1.944896
H 5.465236 0.209100 -0.110527
H 4.257922 2.401871 0.240192
H 4.256871 2.735963 -1.591583
H 1.518023 -2.340197 1.790021
H 3.044720 -3.387036 1.586908
H 2.560676 -3.450743 -0.990229
H 1.055387 -2.415457 -0.680696
H 0.953629 0.978544 -1.218892
H -2.565749 0.153632 1.189402
H -3.480680 1.740361 -1.301263
H -3.135254 2.424709 0.309346
H -2.510293 -1.816687 -0.312110
H -3.101386 -0.828980 -1.682936
H -5.627691 2.123838 -0.067149
H -5.056087 1.144729 1.301846
H -4.662585 -1.467288 0.917966
H -4.994261 -2.146505 -0.691144
H -6.569112 -0.234408 -0.128562
H -5.586373 0.123088 -1.569424


