%chk=000076461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076461

0 1
 O   0.7269000       3.117400     -2.7999999E-03
 O   -2.350600      -2.495300      8.9999998E-04
 O    4.080900      0.3658000      4.8000002E-03
 N   -2.345900     -0.2293000       0.000000    
 N   2.3900000E-02 -0.8743000      2.0000001E-03
 N   -1.990000       2.007300     -1.9000000E-03
 N    1.568700      0.9591000      1.2000001E-03
 N    2.355400      -1.202200      4.6999999E-03
 C  -0.9954000     -4.4000000E-03  6.0000003E-04
 C  -0.8000000       1.347800     -7.9999998E-04
 C    1.298200     -0.3245000      2.4999999E-03
 C   -2.896000       1.045800     -1.1000000E-03
 C   0.5389000       1.906700     -1.0000000E-03
 C   -3.005100      -1.462500      9.9999997E-05
 C   -4.502000      -1.395900     -1.1000000E-03
 C    3.675400     -0.7936000      5.7000001E-03
 C    4.616800      -1.967900     -1.3800000E-02
 H  -0.1039000      -1.881000      3.3000000E-03
 H   -3.964200       1.214900     -1.6000000E-03
 H    2.144000      -2.196300      3.0000000E-03
 H   -4.863200     -0.8919000     -0.9015000    
 H   -4.864600     -0.8909000      0.8982000    
 H   -4.901900      -2.414700     -8.9999998E-04
 H    5.646500      -1.616400      9.5799997E-02
 H    4.520500      -2.501300     -0.9636000    
 H    4.388000      -2.647600      0.8122000    


%chk=000076461-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076461

0 1
O 0.715180 3.377439 -0.033211
O -2.131882 -2.458626 0.022016
O 4.341479 0.244867 0.129901
N -2.375419 -0.158805 -0.001008
N 0.055213 -0.737039 0.003816
N -2.159827 2.128871 -0.022314
N 1.547669 1.170296 -0.017747
N 2.380593 -1.079242 -0.000239
C -1.000708 0.141873 -0.004662
C -0.869952 1.532384 -0.017503
C 1.344992 -0.122740 -0.004253
C -3.030401 1.127971 -0.011580
C 0.471296 2.148374 -0.023614
C -2.918372 -1.468967 0.012598
C -4.425703 -1.586520 0.014781
C 3.791647 -0.871793 0.046942
C 4.559904 -2.195616 -0.024682
H -0.142442 -1.745081 0.022063
H -4.113075 1.220134 -0.010770
H 2.092438 -2.060352 -0.041844
H -4.863489 -1.112937 -0.882354
H -4.861964 -1.097120 0.904148
H -4.692037 -2.653144 0.024545
H 5.625157 -1.989335 0.151376
H 4.453104 -2.658596 -1.023913
H 4.207898 -2.921493 0.732410


