%chk=000080481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080481

0 1
 O  -0.4430000      -2.993800     -8.9999998E-04
 O    4.256200       1.162500     -2.0999999E-03
 O    2.540800       2.532400      6.0000003E-04
 N    3.019100       1.372400       0.000000    
 C   -1.612400     -0.3739000      6.9999998E-04
 C   -2.070200      0.3675000      -1.267600    
 C   -2.072300      0.3675000       1.268300    
 C   -3.580100      0.6010000      -1.263500    
 C   -3.582100      0.6010000       1.261800    
 C   -4.034100       1.328300     -1.3000000E-03
 C  -0.1146000     -0.6193000      1.3000000E-03
 C   0.3926000      -1.917700      9.9999997E-05
 C   0.7537000      0.4711000      1.8000000E-03
 C    2.132900      0.2628000      1.2000001E-03
 C    1.771800      -2.126000     -3.0000001E-04
 C    2.641900      -1.035900      9.9999997E-05
 H   -2.133800      -1.340200      3.0000001E-04
 H   -1.795700     -0.2094000      -2.159600    
 H   -1.566900       1.338100      -1.357100    
 H   -1.569000       1.338200       1.358500    
 H   -1.799100     -0.2093000       2.160600    
 H   -4.098700     -0.3629000      -1.336400    
 H   -3.864700       1.183500      -2.146900    
 H   -3.868200       1.183700       2.144700    
 H   -4.100900     -0.3628000       1.333900    
 H   -3.626600       2.346800     -1.0000000E-03
 H   -5.125900       1.421100     -2.2000000E-03
 H   0.3454000       1.478500      2.2000000E-03
 H    2.181900      -3.132500     -1.3000000E-03
 H    3.710200      -1.236200     -6.9999998E-04
 H   8.8399999E-02  -3.808400     -1.7000000E-03


%chk=000080481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080481

0 1
O -0.478920 -2.996233 -0.000852
O 4.365724 1.162847 0.000462
O 2.578981 2.581905 0.000764
N 3.092045 1.393825 0.001339
C -1.631344 -0.380904 -0.000257
C -2.095551 0.379565 -1.278047
C -2.096188 0.379486 1.277331
C -3.626472 0.599389 -1.276299
C -3.627114 0.599281 1.274821
C -4.089718 1.342131 -0.000824
C -0.124865 -0.613105 0.000042
C 0.427430 -1.928509 -0.000291
C 0.782471 0.466100 0.000573
C 2.176210 0.239019 0.000791
C 1.829092 -2.151576 -0.000066
C 2.717252 -1.065257 0.000465
H -2.128106 -1.369462 -0.000411
H -1.788153 -0.184907 -2.179369
H -1.585773 1.363751 -1.326814
H -1.586476 1.363688 1.326435
H -1.789235 -0.185031 2.178778
H -4.136544 -0.384576 -1.330513
H -3.925002 1.164844 -2.180078
H -3.926119 1.164654 2.178495
H -4.137202 -0.384694 1.328686
H -3.665769 2.367741 -0.000673
H -5.191397 1.451170 -0.001097
H 0.423102 1.498920 0.000826
H 2.221836 -3.176207 -0.000316
H 3.800973 -1.202933 0.000637
H -0.008568 -3.866824 -0.001039


