%chk=000013943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013943

0 1
 P    2.497100      2.3300000E-02  5.0500002E-02
 O    3.348000       1.273200      5.9099998E-02
 N    2.628500     -0.9388000       1.412400    
 N    2.741300     -0.9290000      -1.311800    
 N   0.9133000      0.6599000      3.7599999E-02
 N  -5.9500001E-02 -0.2508000     -5.5000000E-03
 N  -0.8716000       1.887300      3.7400000E-02
 N    1.287900       2.971600      0.1059000    
 C   0.4405000       1.920800      6.2799998E-02
 C    2.420800     -0.3097000       2.717800    
 C    2.020600      -2.270300       1.417300    
 C    4.059900      -1.557800      -1.458600    
 C    2.373400     -0.3424000      -2.607700    
 C   -1.129500      0.5469000     -4.1999999E-03
 C   -2.472600      4.2800002E-02 -4.5299999E-02
 C   -2.700900      -1.332900     -8.9000002E-02
 C   -3.551000      0.9282000     -4.1800000E-02
 C   -4.006200      -1.822900     -0.1293000    
 C   -4.856300      0.4381000     -8.2000002E-02
 C   -5.083900     -0.9375000     -0.1258000    
 H    2.984000      0.6272000       2.777600    
 H    2.782200     -0.9486000       3.530800    
 H    1.363700     -8.2000002E-02   2.889200    
 H    2.425900      -2.878700       2.233700    
 H    2.235900      -2.815000      0.4944000    
 H   0.9338000      -2.220400       1.534500    
 H    4.339700      -2.087300     -0.5430000    
 H    4.834100     -0.8102000      -1.662000    
 H    4.059200      -2.299700      -2.264500    
 H    2.443900      -1.080900      -3.413900    
 H    3.013400      0.5122000      -2.851200    
 H    1.335700      3.0000000E-03  -2.594200    
 H   0.9426000       3.925900      0.1244000    
 H    2.297000       2.872800      0.1238000    
 H   -1.886100      -2.052700     -9.2799999E-02
 H   -3.406800       2.005200     -8.2000000E-03
 H   -4.183900      -2.893900     -0.1632000    
 H   -5.695900       1.127100     -7.9300001E-02
 H   -6.100200      -1.319000     -0.1570000    


%chk=000013943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013943

0 1
P 2.579906 0.190980 0.209551
O 3.409591 1.547998 0.464620
N 2.784849 -0.929707 1.504406
N 2.813565 -0.778883 -1.203716
N 0.874173 0.711194 0.032913
N -0.189085 -0.233651 -0.076121
N -1.007251 1.950887 -0.004796
N 1.115033 3.129495 0.207705
C 0.343207 2.012393 0.085854
C 3.292899 -0.440607 2.800581
C 2.088304 -2.231164 1.514518
C 4.048778 -1.582466 -1.317808
C 2.152129 -0.469247 -2.486364
C -1.284239 0.579362 -0.100241
C -2.654977 0.056375 -0.214026
C -2.896939 -1.340426 -0.314367
C -3.751794 0.957891 -0.224518
C -4.216506 -1.824423 -0.422673
C -5.070694 0.467965 -0.333059
C -5.308993 -0.923145 -0.432428
H 3.757407 0.549484 2.660518
H 4.059288 -1.140754 3.184377
H 2.480804 -0.358257 3.551498
H 2.781811 -3.017986 1.868762
H 1.745152 -2.482141 0.498674
H 1.202548 -2.206941 2.180094
H 4.481961 -1.758007 -0.319334
H 4.808220 -1.078268 -1.949809
H 3.807337 -2.562254 -1.772052
H 1.943329 -1.419632 -3.012149
H 2.787051 0.164546 -3.139266
H 1.189674 0.035225 -2.315702
H 0.654780 4.034135 0.242705
H 2.131529 3.008468 0.320961
H -2.045156 -2.028477 -0.306916
H -3.546734 2.030175 -0.146706
H -4.396466 -2.902777 -0.499817
H -5.912552 1.169517 -0.340244
H -6.333937 -1.301877 -0.516723


