%chk=000100431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100431

0 1
 P   0.3414000     -4.8599999E-02 -0.4741000    
 O   0.3338000     -0.2912000      -1.972000    
 O   -3.504600     -0.8026000     -2.5500000E-02
 N   -1.133600     -0.4141000      0.2429000    
 N   0.7281000       1.537100     -9.2500001E-02
 N    1.503800      -1.021600      0.2760000    
 C   -2.385700     -9.3999999E-03 -0.4079000    
 C   -1.310000     -0.3407000       1.695000    
 C  -0.1131000       2.615400     -0.6096000    
 C    1.254800       1.910000       1.217400    
 C    1.372600      -2.472500      8.3400004E-02
 C    2.912500     -0.6617000      6.6799998E-02
 H   -2.289300     -0.1066000      -1.493700    
 H   -2.623000       1.037300     -0.1952000    
 H  -0.4145000     -0.7021000       2.209900    
 H   -2.135100     -0.9725000       2.039800    
 H   -1.491400      0.6879000       2.022300    
 H   -1.021000       2.738600     -1.1600000E-02
 H  -0.4090000       2.406100      -1.642500    
 H   0.4295000       3.566900     -0.6216000    
 H    1.799400       1.109300       1.720400    
 H   0.4446000       2.195700       1.897700    
 H    1.940500       2.759200       1.125800    
 H    1.558000      -2.755000     -0.9583000    
 H   0.3627000      -2.800600      0.3485000    
 H    2.063400      -3.023100      0.7311000    
 H    3.229200     -0.9169000     -0.9511000    
 H    3.556000      -1.194400      0.7756000    
 H    3.118100      0.4014000      0.1993000    
 H   -3.241800      -1.731000     -0.1455000    


%chk=000100431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100431

0 1
P 0.068008 0.180207 -0.384198
O -0.477775 0.079224 -1.902282
O -2.629451 -1.540757 -0.833334
N -1.288857 -0.152231 0.687483
N 0.817606 1.732199 -0.099673
N 1.287410 -0.937092 0.189742
C -2.578365 -0.331990 -0.006468
C -1.163618 -0.667720 2.063033
C 0.625030 2.798732 -1.100502
C 1.082627 2.177728 1.278740
C 0.930800 -2.374599 0.185101
C 2.724094 -0.668619 -0.014615
H -2.783697 0.559027 -0.628849
H -3.363044 -0.454346 0.756697
H -0.102396 -0.683249 2.362772
H -1.551024 -1.703532 2.139935
H -1.721638 -0.029359 2.774873
H -0.157501 3.523836 -0.790202
H 0.322176 2.343238 -2.057980
H 1.574725 3.348789 -1.247033
H 1.339130 1.315911 1.918913
H 0.212572 2.704585 1.727331
H 1.944970 2.871178 1.281019
H 1.330481 -2.884888 -0.715634
H -0.165957 -2.501288 0.187167
H 1.347904 -2.869054 1.082925
H 3.105869 -1.149505 -0.940237
H 3.298684 -1.064688 0.844904
H 2.893101 0.417264 -0.088902
H -2.045564 -1.338701 -1.619923


