%chk=000036016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036016

0 1
 O    2.071600      -2.263700       1.222400    
 N   -2.759700     -0.2772000     -0.8771000    
 C  -0.1564000      0.6579000      0.3198000    
 C    1.675600      -1.075200      0.5527000    
 C    1.228700     -2.5200000E-02  -1.691800    
 C    2.281700       1.335700      0.1527000    
 C   0.2789000     -0.6433000       1.031500    
 C  -0.1669000      0.4057000      -1.207000    
 C   0.8824000       1.761800      0.6313000    
 C    1.638900      -1.316000     -0.9663000    
 C    2.687500      3.9099999E-02  0.8702000    
 C    2.243000       1.084100      -1.364400    
 C   -1.546200       1.086000      0.7977000    
 C   -2.628500      2.8100001E-02  0.5476000    
 C   -3.977100      0.5193000       1.072000    
 C   -3.753500      -1.317100      -1.091400    
 H    1.210200     -0.1991000      -2.773800    
 H    3.006100       2.126000      0.3783000    
 H   0.2815000     -0.5099000       2.121600    
 H  -0.4089000      -1.473900      0.8365000    
 H  -0.5000000       1.295000      -1.755600    
 H  -0.7664000     -0.4462000      -1.514300    
 H   0.9089000       1.965000       1.709600    
 H   0.5962000       2.700900      0.1404000    
 H   0.9439000      -2.131800      -1.203100    
 H    2.621700      -1.654700      -1.319200    
 H    3.696600     -0.2659000      0.5640000    
 H    2.743300      0.2013000       1.954500    
 H    3.239700      0.7969000      -1.721400    
 H    1.970000       2.007300      -1.890000    
 H   -1.830600       2.027300      0.3067000    
 H   -1.506800       1.306400       1.873100    
 H   -2.381700     -0.8800000       1.107700    
 H    2.950800      -2.516100      0.8924000    
 H   -4.727200     -0.2770000       1.115100    
 H   -4.376400       1.341800      0.4672000    
 H   -3.872400      0.8932000       2.097400    
 H   -3.026400      0.5598000      -1.395100    
 H   -4.778900     -0.9565000     -0.9668000    
 H   -3.587200      -2.186800     -0.4469000    
 H   -3.671100      -1.669200      -2.125200    


%chk=000036016-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036016

0 1
O 1.874509 -2.403138 1.128574
N -2.978623 -0.480164 -0.765232
C -0.160511 0.662786 0.148109
C 1.645772 -1.106796 0.448276
C 1.451873 0.108512 -1.763502
C 2.317779 1.327372 0.278257
C 0.201463 -0.702161 0.804468
C 0.000892 0.521437 -1.397393
C 0.866092 1.731717 0.643628
C 1.780791 -1.252504 -1.087297
C 2.643857 -0.035150 0.951621
C 2.449092 1.186846 -1.262281
C -1.588198 1.137834 0.551302
C -2.744004 0.104134 0.581195
C -4.010782 0.758556 1.206321
C -3.882241 -1.644740 -0.825678
H 1.537257 0.001056 -2.863040
H 3.022030 2.099558 0.646319
H 0.104288 -0.645322 1.907192
H -0.481796 -1.493383 0.444948
H -0.242630 1.490750 -1.881424
H -0.726131 -0.226556 -1.762066
H 0.776887 1.848535 1.743735
H 0.622931 2.715160 0.190781
H 1.088540 -2.041359 -1.439443
H 2.813894 -1.569293 -1.345506
H 3.682348 -0.344092 0.707283
H 2.568923 0.043276 2.053772
H 3.487607 0.905941 -1.531879
H 2.234564 2.158001 -1.751441
H -1.881882 1.977664 -0.117421
H -1.529513 1.571404 1.572096
H -2.444063 -0.739785 1.234773
H 2.790699 -2.710814 0.904378
H -4.865596 0.057878 1.210201
H -4.306631 1.659078 0.632935
H -3.826008 1.068632 2.251997
H -3.232309 0.248029 -1.447930
H -4.928658 -1.459145 -0.483083
H -3.467945 -2.457495 -0.200056
H -3.929670 -2.018463 -1.864492


