%chk=000054809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054809

0 1
 O   -2.810400       3.838400     -6.9999998E-04
 O   -2.723400      -3.817700     -1.2000001E-03
 O   -4.170800      -2.167300     -9.9999997E-05
 N   -2.994900      -2.595800     -6.0000003E-04
 C   0.2988000      8.6199999E-02  1.9999999E-04
 C   -1.027900      0.6020000      3.0000001E-04
 C    1.421900      0.9559000      9.9999997E-05
 C   0.4852000      -1.313200      3.9999999E-04
 C   -2.140300     -0.2748000      3.0000001E-04
 C   -1.247900       1.996200      1.9999999E-04
 C    2.748400      0.4001000     -9.9999997E-05
 C    2.906200      -1.008100      9.9999997E-05
 C   -1.922400      -1.655300      3.0000001E-04
 C    1.780400      -1.838000      3.9999999E-04
 C  -0.6264000      -2.166900      3.9999999E-04
 C    1.152800       2.343800     -1.9999999E-04
 C  -0.1482000       2.853600     -9.9999997E-05
 C   -2.558700       2.496200      1.9999999E-04
 C   -3.440500      0.2511000      3.0000001E-04
 C    3.937700       1.173000     -6.9999998E-04
 C   -3.647400       1.628200      3.0000001E-04
 C    4.188700      -1.584000      3.0000001E-04
 C    5.206800      0.5881000     -3.9999999E-04
 C    5.332300     -0.7918000      9.9999997E-05
 H    1.916100      -2.920200      6.0000003E-04
 H  -0.4433000      -3.240700      5.0000002E-04
 H    1.958900       3.073200     -3.9999999E-04
 H  -0.2734000       3.934300     -3.0000001E-04
 H   -4.392200     -0.2482000      5.0000002E-04
 H    3.902400       2.259400     -1.0000000E-03
 H   -4.664000       2.014200      1.9999999E-04
 H    4.308900      -2.666000      6.0000003E-04
 H    6.093000       1.216000     -6.9999998E-04
 H    6.315400      -1.252300      1.9999999E-04
 H   -3.771700       3.985900     -6.9999998E-04


%chk=000054809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054809

0 1
O -2.695856 3.958065 -0.000332
O -2.666087 -4.004994 -0.000495
O -4.264605 -2.397246 0.000826
N -3.021274 -2.758767 0.000288
C 0.276791 0.084688 0.000007
C -1.071286 0.599811 -0.000012
C 1.412842 0.961513 -0.000098
C 0.480743 -1.353866 0.000129
C -2.228949 -0.283113 0.000114
C -1.255689 2.029255 -0.000153
C 2.758337 0.400659 -0.000072
C 2.928932 -1.040119 0.000072
C -1.954022 -1.721032 0.000190
C 1.782524 -1.884976 0.000169
C -0.661927 -2.220871 0.000199
C 1.175479 2.381452 -0.000224
C -0.110552 2.896140 -0.000255
C -2.581144 2.561552 -0.000184
C -3.520499 0.305483 0.000075
C 3.938599 1.211113 -0.000183
C -3.693604 1.705802 -0.000077
C 4.250927 -1.601238 0.000107
C 5.215872 0.639932 -0.000151
C 5.377631 -0.780183 -0.000001
H 1.919853 -2.972890 0.000269
H -0.521498 -3.305530 0.000251
H 2.019350 3.075985 -0.000300
H -0.283079 3.975499 -0.000357
H -4.396411 -0.340441 0.000190
H 3.853733 2.301339 -0.000301
H -4.710746 2.117489 -0.000094
H 4.357517 -2.692234 0.000216
H 6.100655 1.285753 -0.000242
H 6.382529 -1.215082 0.000025
H -3.644985 4.236552 -0.000296


