%chk=000108225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108225

0 1
 O   -2.112100     -0.3413000      -1.150000    
 O   -5.116600       1.918200     -0.9071000    
 N  -0.6432000       1.998500      0.6877000    
 N    4.894700      0.3635000     -0.9327000    
 N   -3.969900     -0.3614000      0.2526000    
 C   0.7064000       1.374400      0.7578000    
 C   0.6647000     -0.1825000      0.7708000    
 C    1.605400       1.956500     -0.3959000    
 C   -1.783200     -0.1486000       1.207200    
 C   -1.599100       1.324500       1.582100    
 C    2.868300       1.183100     -0.5306000    
 C    1.941700     -0.9055000      0.5750000    
 C    2.931800     -0.1432000     -5.6000002E-02
 C  -0.4890000     -0.8500000      0.9442000    
 C    4.195000     -0.6494000     -0.3134000    
 C    4.097400       1.479100      -1.071100    
 C  -0.6123000       3.430500       1.002500    
 C   -2.616200     -0.3004000     -3.0800000E-02
 C    2.278900      -2.214700      0.9399000    
 C    4.546600      -1.952200      4.2599998E-02
 C    3.558700      -2.723000      0.6754000    
 C   -4.986200     -0.4844000     -0.7673000    
 C    6.267400      0.2817000      -1.383000    
 C   -5.799800      -1.772000     -0.5820000    
 C   -5.898600      0.7419000     -0.7322000    
 C   -4.930700      -3.023300     -0.5856000    
 H    1.173400       1.655800       1.715200    
 H    1.852600       3.005300     -0.1979000    
 H    1.064600       1.912600      -1.350400    
 H   -2.277300     -0.6585000       2.044400    
 H   -2.573400       1.827600       1.531800    
 H   -1.255400       1.397800       2.623400    
 H  -0.5219000      -1.936200      0.9266000    
 H    4.470800       2.378700      -1.541900    
 H  -3.4299999E-02   3.992600      0.2634000    
 H  -0.1949000       3.624800       1.996800    
 H   -1.623000       3.854000      0.9683000    
 H    1.560000      -2.855900       1.443300    
 H    5.532500      -2.357500     -0.1546000    
 H    3.794700      -3.742800      0.9714000    
 H   -4.278700     -0.3077000       1.219000    
 H   -4.489200     -0.5143000      -1.744800    
 H    6.563600       1.232200      -1.833700    
 H    6.901100      6.7699999E-02 -0.5186000    
 H    6.339400     -0.5187000      -2.123800    
 H   -6.352600      -1.735600      0.3651000    
 H   -6.543000      -1.852300      -1.384300    
 H   -6.639400      0.7027000      -1.536800    
 H   -6.430300      0.8263000      0.2219000    
 H   -4.248000      -3.043100      0.2695000    
 H   -4.338300      -3.086400      -1.503900    
 H   -5.560700      -3.916800     -0.5271000    
 H   -4.475500       1.952900     -0.1768000    


%chk=000108225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108225

0 1
O -2.484339 -2.555246 0.135734
O -2.311471 1.147219 -1.454723
N -1.153954 1.284423 1.119764
N 4.410258 0.839988 -1.323872
N -3.647235 -0.553636 0.380487
C 0.307319 0.977422 0.900513
C 0.627911 -0.522934 1.098441
C 0.765894 1.509238 -0.506163
C -1.715372 -1.022625 1.904439
C -1.717178 0.479365 2.248598
C 2.215931 1.152911 -0.719301
C 2.029853 -0.900451 0.784538
C 2.728484 -0.020000 -0.073168
C -0.298878 -1.422773 1.532464
C 4.086654 -0.216263 -0.459432
C 3.266990 1.666563 -1.476561
C -1.370996 2.737194 1.368069
C -2.656765 -1.454683 0.737804
C 2.753560 -2.018202 1.263173
C 4.807543 -1.335831 0.017339
C 4.111803 -2.222418 0.876121
C -4.186797 -0.471355 -0.996131
C 5.708889 1.040332 -1.966319
C -5.721129 -0.650815 -1.051692
C -3.738802 0.900384 -1.581095
C -6.177979 -2.048385 -0.585243
H 0.908334 1.533198 1.665520
H 0.604436 2.600197 -0.566285
H 0.124098 1.046503 -1.280499
H -2.024846 -1.594349 2.803587
H -2.731864 0.861170 2.476152
H -1.117318 0.626364 3.177017
H -0.053567 -2.488362 1.578312
H 3.310964 2.541102 -2.124196
H -1.024422 3.326221 0.505435
H -0.841196 3.093236 2.281121
H -2.451529 2.930412 1.491682
H 2.285641 -2.728638 1.953679
H 5.851653 -1.525852 -0.253349
H 4.641993 -3.098266 1.267715
H -3.746807 0.293303 0.943690
H -3.696531 -1.289993 -1.554021
H 5.670042 1.941705 -2.598689
H 6.509509 1.177166 -1.215242
H 5.972132 0.178007 -2.607219
H -6.203799 0.132484 -0.430011
H -6.053933 -0.472332 -2.094394
H -3.961827 0.929987 -2.662308
H -4.336859 1.707999 -1.090248
H -5.828566 -2.246955 0.443551
H -5.757389 -2.838258 -1.233413
H -7.279721 -2.136107 -0.602644
H -1.991918 1.085835 -0.483122


