%chk=000080719.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080719

0 1
 O   -4.748600      -1.140600      8.9999998E-04
 N   1.2200000E-02  -1.269100     -6.9999998E-04
 N  -5.6899998E-02   1.547600     -3.0000001E-04
 N    4.878800      -1.144100      1.2000001E-03
 C    1.215600     -0.5532000     -6.9999998E-04
 C   -1.211500     -0.6454000     -3.0000001E-04
 C    1.171200      0.8537000     -3.0000001E-04
 C   -1.160100      0.8551000     -9.9999997E-05
 C    2.450600      -1.210900     -6.9999998E-04
 C    2.366900       1.579800      1.9999999E-04
 C   -2.393800      -1.273400     -9.9999997E-05
 C    3.636100     -0.4763000     -9.9999997E-05
 C   -2.455700       1.575400       0.000000    
 C    3.594400      0.9167000      5.0000002E-04
 C   -3.677500     -0.5440000      3.0000001E-04
 C   -3.621800      0.9287000      9.9999997E-05
 H   3.9500002E-02  -2.280600     -8.9999998E-04
 H    2.483500      -2.298500     -6.9999998E-04
 H    2.348200       2.666800      6.9999998E-04
 H   -2.450300      -2.357700     -1.9999999E-04
 H   -2.428800       2.660000       0.000000    
 H    4.512300       1.499000      1.2000001E-03
 H   -4.560900       1.470400      1.9999999E-04
 H    4.910300      -2.154900     -1.0000000E-03
 H    5.739100     -0.6123000     -1.9999999E-04


%chk=000080719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080719

0 1
O -4.850844 -1.183375 -0.000286
N 0.011482 -1.242317 -0.000243
N -0.032287 1.578626 0.000253
N 4.903149 -1.148157 -0.000095
C 1.227670 -0.563341 -0.000140
C -1.237079 -0.596045 -0.000112
C 1.169778 0.881608 0.000114
C -1.184626 0.879806 0.000183
C 2.463687 -1.242771 -0.000266
C 2.401265 1.598772 0.000253
C -2.440348 -1.284223 -0.000246
C 3.675497 -0.501398 -0.000140
C -2.449725 1.588959 0.000232
C 3.628864 0.936428 0.000136
C -3.717417 -0.573580 -0.000155
C -3.647684 0.911172 0.000098
H 0.018819 -2.265359 -0.000421
H 2.491603 -2.339804 -0.000429
H 2.343578 2.691413 0.000460
H -2.481285 -2.380412 -0.000444
H -2.393557 2.682625 0.000407
H 4.565878 1.504606 0.000286
H -4.608495 1.438554 0.000160
H 4.965269 -2.162625 -0.000424
H 5.769608 -0.616960 -0.000179


