%chk=000006701.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006701

0 1
 O  -0.5148000       2.446800      6.3600004E-02
 O   -1.496900      -2.804100     -7.4600004E-02
 O    4.984800     -0.6827000      0.5806000    
 O    4.589700       1.279300     -0.4970000    
 N    2.052200       2.088900      4.0600002E-02
 C   0.3988000      0.2590000     -1.6000000E-03
 C   0.1310000      -1.111100     -3.7900001E-02
 C   -2.100100      0.7466000      2.4200000E-02
 C   -2.367700     -0.6235000     -1.1600000E-02
 C  -0.7070000       1.237900      3.0300001E-02
 C   -1.261900      -1.602400     -4.3800000E-02
 C    1.723600      0.7118000      4.6000001E-03
 C    1.188200      -2.028500     -6.8499997E-02
 C    2.774100     -0.2059000     -2.5800001E-02
 C    2.506900      -1.573100     -6.2500000E-02
 C   -3.157200       1.663900      5.4499999E-02
 C   -3.692600      -1.076100     -1.7200001E-02
 C   -4.476000       1.208600      4.9100000E-02
 C   -4.743100     -0.1586000      1.3500000E-02
 C    4.168100      0.2230000     -2.0700000E-02
 H    1.005700      -3.099300     -0.1003000    
 H    3.302300      -2.312900     -0.1016000    
 H   -2.978400       2.735400      8.2599998E-02
 H   -3.927300      -2.136800     -4.4900000E-02
 H   -5.295800       1.920900      7.2700001E-02
 H   -5.770700     -0.5106000      9.3000000E-03
 H    3.015000       2.394100      6.8099998E-02
 H    1.324400       2.788800      6.5399997E-02
 H    5.920400     -0.3877000      0.5807000    


%chk=000006701-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006701

0 1
O -0.534920 2.556077 0.040079
O -1.501192 -2.876729 -0.024939
O 5.149608 -0.845041 0.068266
O 4.657505 1.415296 0.083239
N 2.052621 2.110448 0.062774
C 0.388495 0.314592 0.027618
C 0.124221 -1.088961 0.010997
C -2.125483 0.758941 0.008536
C -2.397552 -0.638687 -0.008849
C -0.725285 1.279727 0.026725
C -1.281375 -1.623773 -0.010050
C 1.768955 0.779491 0.046476
C 1.177270 -2.030747 0.012766
C 2.831357 -0.212449 0.048197
C 2.511091 -1.589772 0.031290
C -3.201852 1.679959 0.008861
C -3.737606 -1.099180 -0.025642
C -4.532492 1.215848 -0.007706
C -4.802238 -0.176904 -0.025055
C 4.239129 0.218281 0.067689
H 0.923846 -3.093775 -0.000515
H 3.334173 -2.309116 0.032702
H -2.967250 2.748441 0.022279
H -3.913244 -2.179379 -0.039108
H -5.360922 1.932240 -0.007203
H -5.837514 -0.533653 -0.037986
H 3.039533 2.395940 0.077220
H 1.245950 2.755579 0.060122
H 6.070873 -0.470992 0.083015


