%chk=000096505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096505

0 1
 O  -0.8511000       2.380900     -1.9999999E-04
 O   -4.279400     -0.6998000     -3.0000001E-04
 N  -0.3045000      0.1101000      7.9999998E-04
 N   -2.557000      0.8452000      5.0000002E-04
 C    1.117400      0.3565000      2.0999999E-03
 C    1.765600     -0.2170000       1.264900    
 C    1.761900     -0.2145000      -1.263300    
 C    3.278600     -1.5100000E-02   1.261300    
 C    3.275200     -1.4300000E-02  -1.263400    
 C    3.918800     -0.5832000     -2.0999999E-03
 C   -1.201100       1.198800      7.9999998E-04
 C  -0.7742000      -1.193900     -3.0000001E-04
 C   -2.069700      -1.515200     -6.0000003E-04
 C   -3.080400     -0.4384000     -3.0000001E-04
 H    1.297900       1.438900      3.1000001E-03
 H    1.567300      -1.290300       1.369600    
 H    1.337300      0.2623000       2.154100    
 H    1.332000      0.2670000      -2.150600    
 H    1.563000      -1.287400      -1.370100    
 H    3.717100     -0.4934000       2.144300    
 H    3.503700       1.056100       1.334200    
 H    3.501000       1.056800      -1.336500    
 H    3.711000     -0.4924000      -2.148000    
 H    4.991900     -0.3617000     -3.4000000E-03
 H    3.817600      -1.675600     -2.3000001E-03
 H  -3.7400000E-02  -1.988900     -1.9999999E-04
 H   -3.225300       1.610900      6.0000003E-04
 H   -2.405500      -2.544800     -1.0000000E-03


%chk=000096505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096505

0 1
O -0.767794 2.364860 0.000885
O -4.442020 -0.529532 0.001142
N -0.341585 0.040804 0.000715
N -2.564572 0.865202 0.001145
C 1.138264 0.273832 0.000223
C 1.804964 -0.284614 1.281247
C 1.803643 -0.282559 -1.282381
C 3.321599 0.026815 1.275726
C 3.320295 0.028695 -1.277922
C 4.006787 -0.515151 -0.001844
C -1.194939 1.176696 0.000935
C -0.865025 -1.249456 0.000538
C -2.212082 -1.518275 0.000709
C -3.180986 -0.424707 0.001018
H 1.241833 1.375049 0.001063
H 1.660090 -1.383825 1.335863
H 1.319809 0.155384 2.173003
H 1.317635 0.159015 -2.172896
H 1.658436 -1.381651 -1.338643
H 3.792645 -0.405052 2.179376
H 3.468024 1.124776 1.332453
H 3.466784 1.126709 -1.333233
H 3.790335 -0.401947 -2.182679
H 5.079358 -0.242293 -0.002192
H 3.958087 -1.624172 -0.002629
H -0.123364 -2.052429 0.000229
H -3.192865 1.675783 0.001280
H -2.591657 -2.540358 0.000568


