%chk=000018355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018355

0 1
 O   0.7713000      -2.625200     -1.3000000E-03
 O   -4.020500      -1.575000      3.1000001E-03
 N   -3.506700      0.7259000     -6.9999998E-04
 C   0.6697000      0.8724000      5.0000002E-04
 C  -2.0700000E-02 -0.3519000      3.9999999E-04
 C    2.093500      0.6144000      3.9999999E-04
 C    2.310300     -0.7744000      1.9999999E-04
 C   0.9872000      -1.433300      9.9999997E-05
 C   -1.397700     -0.4454000      1.9999999E-04
 C  -4.2500000E-02   2.058600      3.0000001E-04
 C   -2.111200      0.7532000      9.9999997E-05
 C    3.176700       1.475200      1.9999999E-04
 C    3.567000      -1.345200     -3.0000001E-04
 C   -1.441500       1.992000       0.000000    
 C    4.463300      0.9218000     -1.9999999E-04
 C    4.655800     -0.4732000     -5.0000002E-04
 C   -4.349500     -0.3932000     -6.9999998E-04
 C   -5.804600      3.1999999E-03 -1.8000000E-03
 H   -1.834900      -1.431500     -1.9999999E-04
 H   0.4565000       3.021900      1.9999999E-04
 H    3.047800       2.552300      3.0000001E-04
 H   -2.008900       2.920500     -3.0000001E-04
 H    3.710200      -2.419100     -6.0000003E-04
 H    5.329200       1.579100     -3.9999999E-04
 H    5.666500     -0.8729000     -8.9999998E-04
 H   -3.959100       1.637700     -1.4000000E-03
 H   -6.033300      0.5711000      0.9044000    
 H   -6.432600     -0.8916000     -2.8700000E-02
 H   -6.022100      0.6152000     -0.8816000    


%chk=000018355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018355

0 1
O 0.833372 -2.740521 0.000317
O -4.092880 -1.568923 -0.004099
N -3.566416 0.720430 -0.002894
C 0.688034 0.864056 -0.000877
C 0.012004 -0.392020 -0.000809
C 2.153440 0.617906 -0.000163
C 2.373243 -0.793425 0.000367
C 1.041954 -1.497104 0.000018
C -1.383157 -0.506637 -0.001481
C -0.066406 2.050093 -0.001558
C -2.144801 0.700878 -0.002189
C 3.249485 1.498771 0.000045
C 3.665137 -1.339704 0.001095
C -1.477609 1.959329 -0.002234
C 4.560502 0.949949 0.000775
C 4.771379 -0.450578 0.001291
C -4.460676 -0.360791 -0.002587
C -5.930164 0.062329 0.001291
H -1.880999 -1.478069 -0.001653
H 0.412996 3.034703 -0.001591
H 3.109271 2.585335 -0.000346
H -2.073145 2.881774 -0.002780
H 3.804008 -2.425961 0.001480
H 5.425239 1.623318 0.000930
H 5.792908 -0.845217 0.001834
H -3.991560 1.651004 -0.002966
H -6.180291 0.632632 0.915254
H -6.553456 -0.842521 -0.030352
H -6.172210 0.691567 -0.875320


