%chk=000094712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094712

0 1
 O    3.173100     -0.5663000      1.0000000E-03
 O   -4.507500      0.1138000      5.7000001E-03
 N   -3.212000     -0.4240000     -5.7999999E-03
 C  -0.8991000      0.2370000     -5.0000002E-04
 C    1.837900     -0.3027000     -6.9999998E-04
 C   1.8800000E-02   1.287200     -1.3000000E-03
 C  -0.4486000      -1.083100      3.0000001E-04
 C    1.387300       1.017300     -1.5000000E-03
 C   0.9200000      -1.352900      3.0000001E-04
 C   -2.326000      0.5192000      3.9999999E-04
 C    4.056200      0.5544000      1.9000000E-03
 H  -0.3180000       2.320800     -1.7000000E-03
 H   -1.139300      -1.922100      1.5000000E-03
 H    2.044900       1.879800     -2.0999999E-03
 H    1.265400      -2.383200      1.4000000E-03
 H   -2.624900       1.583600      9.9999997E-05
 H    3.943500       1.154900      0.9111000    
 H    3.946300       1.154100     -0.9080000    
 H    5.077900      0.1607000      3.5999999E-03
 H   -4.464600      0.8175000      0.6761000    


%chk=000094712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094712

0 1
O 3.213856 -0.580712 -0.039468
O -4.652717 -0.057263 0.133694
N -3.273180 -0.460376 0.102905
C -0.942737 0.237646 0.064995
C 1.859277 -0.230656 -0.003461
C -0.024053 1.318708 0.062052
C -0.428460 -1.094160 0.032981
C 1.369680 1.098503 0.028346
C 0.951672 -1.325491 -0.000612
C -2.383058 0.515989 0.100533
C 4.199150 0.504830 -0.046377
H -0.399987 2.349321 0.086279
H -1.133410 -1.931133 0.035102
H 2.050339 1.954554 0.027265
H 1.360240 -2.340145 -0.025449
H -2.684575 1.585525 0.121185
H 4.125431 1.119604 0.871399
H 4.079739 1.149396 -0.938551
H 5.177025 0.003202 -0.079272
H -4.732933 0.948659 0.148257


