%chk=000178633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178633

0 1
 P   2.3000001E-03   1.006900     -5.9900001E-02
 O  -0.1627000       1.745300       1.384200    
 O   0.1372000       2.040600      -1.155900    
 N   -1.308500      1.4000000E-02 -0.1864000    
 N    1.313100      2.3000000E-02  0.1239000    
 C   -1.626800     -0.8929000      0.9140000    
 C   -2.588300      0.5771000     -0.6169000    
 C    1.631500     -0.9461000     -0.9222000    
 C    2.592800      0.6102000      0.5210000    
 C   -2.891600      -1.578000      0.4384000    
 C   -3.623000     -0.5089000     -0.3569000    
 C    2.896300      -1.602300     -0.4077000    
 C    3.627600     -0.4889000      0.3243000    
 H   -1.816000     -0.3360000       1.839100    
 H  -0.8304000      -1.619000       1.101200    
 H   -2.561300      0.8583000      -1.674300    
 H   -2.830300       1.472500     -3.2200001E-02
 H    1.815400     -0.4377000      -1.876100    
 H   0.8351000      -1.681700      -1.067200    
 H    2.569500      0.9503000       1.560800    
 H    2.835800       1.470500     -0.1135000    
 H   -3.494300      -1.962700       1.266500    
 H   -2.643000      -2.420900     -0.2183000    
 H   -4.017900     -0.9256000      -1.289500    
 H   -4.465400     -0.1057000      0.2159000    
 H    3.498900      -2.034200      -1.212300    
 H    2.647900      -2.405800      0.2968000    
 H    4.022800     -0.8509000       1.279400    
 H    4.469900     -0.1195000     -0.2711000    
 H   0.5550000       2.337100       1.695500    


%chk=000178633-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178633

0 1
P 0.018588 1.153594 -0.033874
O 0.107646 1.789426 1.607569
O -0.095675 2.349966 -1.094471
N -1.302786 0.060091 -0.166221
N 1.386284 0.115868 0.078519
C -1.558062 -1.028900 0.819369
C -2.520125 0.392711 -0.964041
C 1.632232 -0.971320 -0.908113
C 2.629755 0.487110 0.821926
C -2.962335 -1.548866 0.420086
C -3.658208 -0.297857 -0.176963
C 2.918149 -1.630054 -0.360770
C 3.717283 -0.421463 0.191385
H -1.553873 -0.629944 1.853619
H -0.784428 -1.816558 0.756916
H -2.434601 -0.023337 -1.987435
H -2.643209 1.485579 -1.056613
H 1.801924 -0.571737 -1.930738
H 0.773976 -1.665401 -0.949615
H 2.493674 0.284822 1.899787
H 2.871394 1.559894 0.707742
H -3.503706 -1.975370 1.281802
H -2.871027 -2.335724 -0.351446
H -4.518349 -0.550847 -0.820161
H -4.014935 0.362664 0.635017
H 3.464189 -2.188731 -1.140223
H 2.664099 -2.329007 0.457203
H 4.486647 -0.713594 0.926154
H 4.220245 0.105833 -0.640159
H -0.173166 2.740150 1.624350


