%chk=000031744.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031744

0 1
 O   -3.918800      0.4302000      8.9999998E-04
 O   -2.913700      -1.521500     -3.0000001E-04
 N   -2.881100     -0.2701000      1.9999999E-04
 N    4.336300      0.8357000      9.9999997E-05
 C  -0.4051000     -0.3330000     -3.9999999E-04
 C   0.8196000      0.3760000     -9.9999997E-05
 C   -1.613200      0.3829000     -3.0000001E-04
 C    2.027700     -0.3401000      1.9999999E-04
 C   0.7998000       1.780300     -1.9999999E-04
 C  -0.3858000      -1.737200     -5.0000002E-04
 C   -1.614300       1.778000     -9.9999997E-05
 C  -0.4099000       2.475400     -1.9999999E-04
 C    2.028100      -1.735400      3.9999999E-04
 C   0.8238000      -2.432500       0.000000    
 C    3.306700      0.3113000      1.9999999E-04
 H    1.714400       2.368100     -9.9999997E-05
 H   -1.201600      -2.437800     -8.9999998E-04
 H   -2.530000       2.363800      9.9999997E-05
 H  -0.4108000       3.561600     -1.9999999E-04
 H    2.960400      -2.295800      6.9999998E-04
 H   0.8293000      -3.519100       0.000000    


%chk=000031744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031744

0 1
O -4.019331 0.576491 -0.004286
O -3.131509 -1.508939 -0.005173
N -3.003336 -0.222630 0.002439
N 4.361894 0.961402 -0.001507
C -0.419687 -0.398614 0.000964
C 0.827615 0.353194 0.000233
C -1.638885 0.385243 0.001561
C 2.084540 -0.365781 -0.000268
C 0.815972 1.784493 -0.000013
C -0.346595 -1.834251 0.001137
C -1.620207 1.786589 0.001164
C -0.388008 2.489777 0.000453
C 2.110325 -1.769452 -0.000068
C 0.887475 -2.492327 0.000637
C 3.326872 0.361298 -0.000983
H 1.770425 2.321827 -0.000608
H -1.271182 -2.409023 0.001658
H -2.573538 2.320418 0.001574
H -0.390630 3.583531 0.000237
H 3.069202 -2.295876 -0.000452
H 0.910388 -3.586571 0.000800


