%chk=000040225.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040225

0 1
 O    2.927500       1.420600      4.9000001E-03
 O    4.647600     -0.5793000     -1.6600000E-02
 N   4.3099999E-02   1.156300      6.9999998E-04
 C   -1.244200      0.6684000     -6.0000003E-04
 C   -1.155500     -0.7254000      1.8000000E-03
 C   0.9402000      0.1221000      3.8999999E-03
 C   0.2286000      -1.055600      4.6999999E-03
 C   -2.468000       1.347200     -3.7000000E-03
 C   -2.344900      -1.480600      6.9999998E-04
 C    2.357600      0.3010000      4.3000001E-03
 C   -3.634400      0.5771000     -4.1999999E-03
 C   -3.576300     -0.8152000     -2.0000001E-03
 C    3.278800     -0.9367000      6.0000001E-03
 H   0.2871000       2.137300     -7.9999998E-04
 H   0.6447000      -2.054300      6.8000001E-03
 H   -2.514300       2.431000     -5.5000000E-03
 H   -2.314100      -2.566500      2.4000001E-03
 H   -4.601500       1.073400     -6.3999998E-03
 H   -4.497000      -1.392600     -2.4000001E-03
 H    3.071800      -1.533800     -0.8868000    
 H    3.087400      -1.535700      0.9014000    
 H    4.838600     -0.1100000      0.8134000    


%chk=000040225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040225

0 1
O 2.892846 1.396878 0.120716
O 4.729018 -0.541279 0.150094
N 0.088649 1.103318 0.056560
C -1.227441 0.660084 0.018429
C -1.195933 -0.788576 0.004704
C 0.956941 -0.002023 0.065840
C 0.186261 -1.181965 0.033970
C -2.442466 1.385239 -0.003071
C -2.423711 -1.509637 -0.031562
C 2.396869 0.217324 0.099506
C -3.635936 0.642070 -0.039219
C -3.628453 -0.789729 -0.053297
C 3.352700 -0.981566 0.111197
H 0.428166 2.065407 0.069643
H 0.574672 -2.199629 0.034213
H -2.458819 2.480083 0.007989
H -2.425415 -2.604875 -0.042249
H -4.596086 1.169661 -0.056971
H -4.583715 -1.324813 -0.081541
H 3.177054 -1.595012 -0.796825
H 3.130890 -1.611902 0.997056
H 4.706711 0.459641 0.156818


