%chk=000096793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096793

0 1
 O    3.049700       1.768100       2.156200    
 N   -1.005800      0.7238000     -0.8409000    
 C    1.746000       1.218400      0.2172000    
 C   0.4979000      0.9481000       1.105800    
 C    1.193400       1.836900      -1.099500    
 C  -0.5483000      8.1000000E-02  0.3962000    
 C   0.1100000      0.9736000      -1.760700    
 C    2.630300       2.281300      0.9072000    
 C    2.619400     -4.0199999E-02  2.8500000E-02
 C   -2.037600     -8.3899997E-02  -1.490300    
 C    2.664500      -1.005000       1.029700    
 C    3.355100     -0.2003000      -1.141100    
 C   -3.239900     -0.2758000     -0.6044000    
 C    3.454000      -2.142300      0.8594000    
 C    4.144600      -1.337500      -1.311500    
 C    4.194000      -2.308400     -0.3112000    
 C   -3.289200      -1.365000      0.2544000    
 C   -4.282100      0.6390000     -0.6593000    
 C   -4.403200      -1.542900       1.074900    
 C   -5.396100      0.4611000      0.1612000    
 C   -5.456600     -0.6300000       1.028200    
 H   2.4700001E-02   1.912000       1.348700    
 H   0.7311000      0.5107000       2.080600    
 H    1.983900       2.061500      -1.822500    
 H   0.7419000       2.813800     -0.8697000    
 H  -0.1548000     -0.9249000      0.2072000    
 H   -1.359400     -4.8000002E-03   1.124200    
 H  -0.2572000       1.511800      -2.643300    
 H   0.5445000      3.1199999E-02  -2.116200    
 H    2.095900       3.223300       1.074500    
 H    3.523900       2.505400      0.3140000    
 H   -1.645300      -1.064100      -1.796000    
 H   -2.366000      0.4046000      -2.417700    
 H    2.130100     -0.9181000       1.967400    
 H    3.363800      0.5368000      -1.935100    
 H    2.317500       1.875900       2.786200    
 H    3.497500      -2.896200       1.640100    
 H    4.725000      -1.465200      -2.220600    
 H    4.810700      -3.192800     -0.4429000    
 H   -2.484100      -2.093400      0.2914000    
 H   -4.244600       1.493300      -1.329200    
 H   -4.451900      -2.394200       1.747500    
 H   -6.216200       1.172300      0.1253000    
 H   -6.324300     -0.7688000       1.666500    


%chk=000096793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096793

0 1
O 2.971179 2.234789 2.178892
N -0.993156 0.428696 -0.765670
C 1.737505 1.218777 0.190789
C 0.545397 0.886086 1.141265
C 1.100522 1.711151 -1.144642
C -0.452458 -0.103365 0.511046
C 0.094227 0.706155 -1.737750
C 2.549417 2.421435 0.785316
C 2.698898 0.020366 0.006653
C -2.047461 -0.441125 -1.336715
C 3.084852 -0.777160 1.118313
C 3.303112 -0.273869 -1.245649
C -3.340875 -0.429195 -0.526006
C 4.021318 -1.825300 0.984259
C 4.241881 -1.320447 -1.386338
C 4.605307 -2.107041 -0.271163
C -4.108697 -1.609917 -0.375089
C -3.820771 0.776692 0.045394
C -5.337864 -1.587818 0.324048
C -5.045670 0.801678 0.747594
C -5.811213 -0.380713 0.887382
H 0.003791 1.827768 1.367637
H 0.900359 0.467310 2.100296
H 1.873097 1.959768 -1.896112
H 0.550329 2.649468 -0.934089
H 0.051046 -1.091664 0.355060
H -1.298837 -0.269427 1.201282
H -0.360275 1.135928 -2.651089
H 0.622623 -0.232801 -2.039394
H 1.940332 3.347137 0.687458
H 3.491616 2.553047 0.227010
H -1.700039 -1.499549 -1.457461
H -2.260172 -0.063659 -2.357992
H 2.672102 -0.568170 2.109137
H 3.048624 0.315497 -2.132311
H 2.176944 2.309471 2.765449
H 4.301298 -2.416515 1.863804
H 4.686948 -1.520270 -2.368045
H 5.331597 -2.920676 -0.377155
H -3.742204 -2.551409 -0.804033
H -3.209915 1.680335 -0.061462
H -5.920666 -2.509667 0.433441
H -5.405128 1.740480 1.185056
H -6.762121 -0.362173 1.431989


