%chk=000138498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138498

0 1
 O    5.298800     -0.2595000     -7.9499997E-02
 N  -0.4461000     -0.4019000       2.720500    
 C    1.180000     -4.9800001E-02 -0.5489000    
 C   -2.647200      2.9500000E-02 -1.0500000E-02
 C  -0.2631000      2.3600001E-02 -0.7122000    
 C   -1.200400     -6.5200001E-02  0.2659000    
 C    1.917200       1.114000     -0.3296000    
 C    1.827000      -1.284000     -0.6103000    
 C    3.948400     -0.1906000     -0.2337000    
 C    3.301400       1.043500     -0.1722000    
 C    3.211100      -1.354400     -0.4526000    
 C   -3.259900       1.270600      1.1900000E-02
 C   -3.359900      -1.124900     -0.2858000    
 C   -4.627200       1.360000     -0.2491000    
 C   -4.727100      -1.035400     -0.5471000    
 C   -5.360900      0.2070000     -0.5288000    
 C  -0.7825000     -0.2511000       1.620100    
 C    5.990700      0.9684000      0.1420000    
 H  -0.5856000      0.1681000      -1.742500    
 H    1.426200       2.083100     -0.2794000    
 H    1.266500      -2.200100     -0.7807000    
 H    3.812200       1.985600     -4.9999999E-03
 H    3.709600      -2.318600     -0.5013000    
 H   -2.699500       2.176300      0.2281000    
 H   -2.877900      -2.098800     -0.3032000    
 H   -5.120800       2.327300     -0.2349000    
 H   -5.298500      -1.933100     -0.7648000    
 H   -6.425500      0.2768000     -0.7322000    
 H    5.680500       1.441600       1.079800    
 H    5.896000       1.644000     -0.7149000    
 H    7.053900      0.7268000      0.2424000    


%chk=000138498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138498

0 1
O 5.433611 0.262284 -0.760700
N -0.714944 0.396978 2.925175
C 1.188578 0.107279 -0.530600
C -2.715837 0.049062 0.032956
C -0.268831 0.032374 -0.608258
C -1.258919 0.124700 0.358810
C 1.952492 0.350927 0.650312
C 1.914070 -0.074478 -1.753518
C 4.046025 0.223341 -0.611858
C 3.357668 0.409168 0.616087
C 3.311806 -0.020096 -1.802286
C -3.201861 0.305016 -1.281163
C -3.661839 -0.279825 1.044518
C -4.576315 0.205345 -1.576170
C -5.037605 -0.376076 0.748418
C -5.503998 -0.139929 -0.564668
C -0.939756 0.275106 1.754292
C 6.247470 0.502368 0.436826
H -0.637857 -0.141496 -1.628520
H 1.452781 0.497790 1.610291
H 1.356910 -0.262783 -2.679562
H 3.903242 0.599464 1.544886
H 3.859532 -0.160270 -2.738652
H -2.512735 0.615377 -2.074280
H -3.315760 -0.468486 2.067053
H -4.927254 0.412408 -2.593330
H -5.744417 -0.635704 1.544150
H -6.572452 -0.211558 -0.795198
H 6.094147 -0.292945 1.190989
H 6.021270 1.489722 0.882768
H 7.288177 0.483737 0.082732


